file int64 | a float64 | siga float64 | b float64 | sigb float64 | c float64 | sigc float64 | alpha float64 | sigalpha float64 | beta float64 | sigbeta float64 | gamma float64 | siggamma float64 | vol float64 | sigvol float64 | celltemp float64 | sigcelltemp float64 | diffrtemp float64 | sigdiffrtemp float64 | cellpressure float64 | sigcellpressure float64 | diffrpressure float64 | sigdiffrpressure float64 | thermalhist string | pressurehist string | compoundsource string | nel string | sg string | sgHall string | sgNumber int64 | commonname string | chemname string | mineral string | formula string | calcformula string | cellformula string | Z int64 | Zprime float64 | acce_code string | authors string | title string | journal string | year int64 | volume int64 | issue string | firstpage string | lastpage string | doi string | method string | radiation string | wavelength float64 | radType string | radSymbol string | Rall float64 | Robs float64 | Rref float64 | wRall float64 | wRobs float64 | wRref float64 | RFsqd float64 | RI float64 | gofall float64 | gofobs float64 | gofgt float64 | gofref float64 | duplicateof int64 | optimal int64 | status string | flags string | text string | svnrevision int64 | date string | time string | onhold string | cif_text string |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,011,860 | 8.764 | 0.002 | 6.103 | 0.001 | 10.791 | 0.002 | 90 | null | 112.97 | 0.03 | 90 | null | 531.4 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | trans-2-(4-aminophenyl)-1-phenyldiazene 2-oxide | - C12 H11 N3 O - | - C12 H11 N3 O - | - C24 H22 N6 O2 - | 2 | 1 | DA1152 | Domański, Andrzej; Ejsmont, Krzysztof; Kyzioł, Janusz B.; Zaleski, Jacek | Two <i>trans</i>-4-aminoazoxybenzenes | Acta Crystallographica Section C | 2,001 | 57 | 4 | 467 | 470 | 10.1107/S0108270101000518 | 0.71073 | MoKα | 0.064 | 0.031 | null | null | null | 0.096 | null | null | null | null | null | 1.044 | null | null | has coordinates,has Fobs | Domański, Andrzej; Ejsmont, Krzysztof; Kyzioł, Janusz B.; Zaleski, Jacek
Two <i>trans</i>-4-aminoazoxybenzenes
Acta Crystallographica Section C
57(4)
(2001)
467-470 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/18/2011860.cif $
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2,011,861 | 9.433 | 0.0012 | 25.266 | 0.003 | 27.258 | 0.004 | 90 | null | 90 | null | 90 | null | 6,496.5 | 1.5 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 21 21 21 | P 2ac 2ab | 19 | [Co(tren)(DL-ile)](ClO~4~)~2~ | trans-(DL-Isoleucinato-N,O)[tris(2-aminoethyl)amine-κ^4^N]cobalt(III) diperchlorate | - C12 H30 Cl2 Co N5 O10 - | - C12 H30 Cl2 Co N5 O10 - | - C144 H360 Cl24 Co12 N60 O120 - | 12 | 3 | DA1160 | Cai, Jiwen; Hu, Xiaopeng; Chen, Cai-Hong; Ji, Liang-Nian | <i>trans</i>-(<small>DL</small>-Isoleucinato-<i>N</i>,<i>O</i>)[tris(2-aminoethyl)amine-κ^4^<i>N</i>]cobalt(III) diperchlorate | Acta Crystallographica Section C | 2,001 | 57 | 4 | 394 | 396 | 10.1107/S0108270101001548 | 0.71073 | MoKα | 0.062 | 0.046 | null | null | null | 0.125 | null | null | null | null | null | 1.003 | null | null | has coordinates,has disorder,has Fobs | Cai, Jiwen; Hu, Xiaopeng; Chen, Cai-Hong; Ji, Liang-Nian
<i>trans</i>-(<small>DL</small>-Isoleucinato-<i>N</i>,<i>O</i>)[tris(2-aminoethyl)amine-κ^4^<i>N</i>]cobalt(III) diperchlorate
Acta Crystallographica Section C
57(4)
(2001)
394-396 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/18/2011861.cif $
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2,011,862 | 4.51 | 0.0004 | 14.462 | 0.001 | 13.231 | 0.001 | 90 | null | 98.823 | 0.007 | 90 | null | 852.76 | 0.12 | 100 | null | 100 | null | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | 4(R),7(R)-di-(hydroxymethyl)-5(R),6(R)-dihydroxy-1,3-dioxepane | - C7 H14 O6 - | - C7 H14 O6 - | - C28 H56 O24 - | 4 | 2 | DA1162 | Xiao, Yingxin; Voll, Ronald J.; Billodeaux, Damon R.; Fronczek, Frank R.; Younathan, Ezzat S. | 2,5-<i>O</i>-Methylene-<small>D</small>-mannitol: two polymorphs and the NaI complex | Acta Crystallographica Section C | 2,001 | 57 | 4 | 379 | 382 | 10.1107/S0108270101000506 | 0.71073 | MoKα | 0.083 | 0.056 | null | null | null | 0.151 | null | null | null | null | null | 1.1 | null | null | has coordinates | Xiao, Yingxin; Voll, Ronald J.; Billodeaux, Damon R.; Fronczek, Frank R.; Younathan, Ezzat S.
2,5-<i>O</i>-Methylene-<small>D</small>-mannitol: two polymorphs and the NaI complex
Acta Crystallographica Section C
57(4)
(2001)
379-382 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/18/2011862.cif $
#-------------------------------------------------------------------... | ||||||||||
2,011,863 | 7.218 | 0.003 | 14.042 | 0.007 | 9.16 | 0.002 | 90 | null | 110.64 | 0.02 | 90 | null | 868.8 | 0.6 | 100 | null | null | null | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | 4(R),7(R)-di-(hydroxymethyl)-5(R),6(R)-dihydroxy-1,3-dioxepane | - C7 H14 O6 - | - C7 H14 O6 - | - C28 H56 O24 - | 4 | 2 | DA1162 | Xiao, Yingxin; Voll, Ronald J.; Billodeaux, Damon R.; Fronczek, Frank R.; Younathan, Ezzat S. | 2,5-<i>O</i>-Methylene-<small>D</small>-mannitol: two polymorphs and the NaI complex | Acta Crystallographica Section C | 2,001 | 57 | 4 | 379 | 382 | 10.1107/S0108270101000506 | 0.71073 | MoKα | null | 0.045 | null | null | null | 0.113 | null | null | null | null | null | 1.07 | null | null | has coordinates | Xiao, Yingxin; Voll, Ronald J.; Billodeaux, Damon R.; Fronczek, Frank R.; Younathan, Ezzat S.
2,5-<i>O</i>-Methylene-<small>D</small>-mannitol: two polymorphs and the NaI complex
Acta Crystallographica Section C
57(4)
(2001)
379-382 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/18/2011863.cif $
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2,011,864 | 6.948 | 0.003 | 11.4543 | 0.0006 | 15.305 | 0.0007 | 90 | null | 90 | null | 90 | null | 1,218 | 0.5 | 297 | null | null | null | null | null | null | null | 5 | C 2 2 21 | C 2c 2 | 20 | 4(R),7(R)-di-(hydroxymethyl)-5(R),6(R)-dihydroxy-1,3-dioxepane sodium iodide | - C7 H14 I Na O6 - | - C7 H14 I Na O6 - | - C28 H56 I4 Na4 O24 - | 4 | 0.5 | DA1162 | Xiao, Yingxin; Voll, Ronald J.; Billodeaux, Damon R.; Fronczek, Frank R.; Younathan, Ezzat S. | 2,5-<i>O</i>-Methylene-<small>D</small>-mannitol: two polymorphs and the NaI complex | Acta Crystallographica Section C | 2,001 | 57 | 4 | 379 | 382 | 10.1107/S0108270101000506 | 0.71073 | MoKα | null | 0.021 | null | null | null | 0.059 | null | null | null | null | null | 1.091 | null | null | has coordinates | Xiao, Yingxin; Voll, Ronald J.; Billodeaux, Damon R.; Fronczek, Frank R.; Younathan, Ezzat S.
2,5-<i>O</i>-Methylene-<small>D</small>-mannitol: two polymorphs and the NaI complex
Acta Crystallographica Section C
57(4)
(2001)
379-382 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/18/2011864.cif $
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2,011,865 | 8.043 | 0.003 | 5.459 | 0.003 | 15.74 | 0.004 | 90 | null | 92.73 | 0.02 | 90 | null | 690.3 | 0.5 | 292 | null | 292 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C12 H10 Cl2 N4 O4 - | - C12 H10 Cl2 N4 O4 - | - C24 H20 Cl4 N8 O8 - | 2 | 0.5 | DE1164 | Ishida, Hiroyuki; Kashino, Setsuo | 1:2 Complexes of chloranilic acid with pyrazole and imidazole, and the acetonitrile solvate of a 1:1 complex with imidazole | Acta Crystallographica Section C | 2,001 | 57 | 4 | 476 | 479 | 10.1107/S0108270101000944 | 0.71073 | MoKα | 0.053 | 0.05 | null | 0.079 | null | 0.076 | null | null | 1.43 | null | null | 1.43 | null | null | has coordinates | Ishida, Hiroyuki; Kashino, Setsuo
1:2 Complexes of chloranilic acid with pyrazole and imidazole, and the acetonitrile solvate of a 1:1 complex with imidazole
Acta Crystallographica Section C
57(4)
(2001)
476-479 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/18/2011865.cif $
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2,011,866 | 7.547 | 0.002 | 8.1565 | 0.0015 | 11.75 | 0.004 | 90 | null | 101.1 | 0.03 | 90 | null | 709.8 | 0.3 | 298 | null | 298 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C12 H10 Cl2 N4 O4 - | - C12 H10 Cl2 N4 O4 - | - C24 H20 Cl4 N8 O8 - | 2 | 0.5 | DE1164 | Ishida, Hiroyuki; Kashino, Setsuo | 1:2 Complexes of chloranilic acid with pyrazole and imidazole, and the acetonitrile solvate of a 1:1 complex with imidazole | Acta Crystallographica Section C | 2,001 | 57 | 4 | 476 | 479 | 10.1107/S0108270101000944 | 0.71073 | MoKα | 0.058 | 0.051 | null | 0.079 | null | 0.073 | null | null | 1.35 | null | null | 1.35 | null | null | has coordinates | Ishida, Hiroyuki; Kashino, Setsuo
1:2 Complexes of chloranilic acid with pyrazole and imidazole, and the acetonitrile solvate of a 1:1 complex with imidazole
Acta Crystallographica Section C
57(4)
(2001)
476-479 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/18/2011866.cif $
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2,011,867 | 9.3895 | 0.0019 | 9.628 | 0.002 | 8.214 | 0.002 | 95.86 | 0.02 | 99.82 | 0.02 | 111.156 | 0.016 | 671.5 | 0.3 | 297 | null | 297 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C11 H9 Cl2 N3 O4 - | - C11 H9 Cl2 N3 O4 - | - C22 H18 Cl4 N6 O8 - | 2 | 1 | DE1164 | Ishida, Hiroyuki; Kashino, Setsuo | 1:2 Complexes of chloranilic acid with pyrazole and imidazole, and the acetonitrile solvate of a 1:1 complex with imidazole | Acta Crystallographica Section C | 2,001 | 57 | 4 | 476 | 479 | 10.1107/S0108270101000944 | 0.71073 | MoKα | 0.062 | 0.052 | null | 0.069 | null | 0.063 | null | null | 1.37 | null | null | 1.37 | null | null | has coordinates | Ishida, Hiroyuki; Kashino, Setsuo
1:2 Complexes of chloranilic acid with pyrazole and imidazole, and the acetonitrile solvate of a 1:1 complex with imidazole
Acta Crystallographica Section C
57(4)
(2001)
476-479 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/18/2011867.cif $
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2,011,868 | 13.3463 | 0.0003 | 23.46 | 0.0001 | 14.5584 | 0.0003 | 90 | null | 100.56 | 0.001 | 90 | null | 4,481.09 | 0.14 | 173 | 1 | 173 | 1 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | iodo(pyridine-N)(5,10,15,20-tetraphenylporphyrinato-κ^4^N)rhodium(III) toluene solvate | - C56 H41 I N5 Rh - | - C56 H41 I N5 Rh - | - C224 H164 I4 N20 Rh4 - | 4 | 1 | FG1606 | Jameson, Geoffrey B.; Collman, James P.; Boulatov, Roman | Superimposed saddle and ruffled distortions of the porphyrin in iodo(pyridine-<i>N</i>)(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)rhodium(III) toluene solvate | Acta Crystallographica Section C | 2,001 | 57 | 4 | 406 | 408 | 10.1107/S0108270101001536 | 0.7107 | MoKα | 0.134 | 0.07 | null | null | null | 0.126 | null | null | null | null | null | 1.13 | null | null | has coordinates,has disorder,has Fobs | Jameson, Geoffrey B.; Collman, James P.; Boulatov, Roman
Superimposed saddle and ruffled distortions of the porphyrin in iodo(pyridine-<i>N</i>)(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)rhodium(III) toluene solvate
Acta Crystallographica Section C
57(4)
(2001)
406-408 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/18/2011868.cif $
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2,011,869 | 19.4661 | 0.0007 | 10.7312 | 0.0004 | 8.3 | 0.0003 | 90 | null | 90 | null | 90 | null | 1,733.83 | 0.11 | 123 | 1 | 123 | 1 | null | null | null | null | 4 | P b c n | -P 2n 2ab | 60 | Compound 1 | 2,7–dihydro–2,2,7,7–tetramethyl–3,6–diphenyl–1,4,5–thiadiazepine | - C20 H22 N2 S - | - C20 H22 N2 S - | - C80 H88 N8 S4 - | 4 | 0.5 | FG1607 | Cuthbertson, Eric; Frampton, Christopher S.; MacNicol, David D. | A comparison of 2,7-dihydro-2,2,7,7-tetramethyl-3,6-diphenyl-1,4,5-thiadiazepine and the corresponding 1,1-dioxide | Acta Crystallographica Section C | 2,001 | 57 | 4 | 431 | 432 | 10.1107/S0108270100020564 | 0.71073 | MoKα | 0.0386 | 0.0335 | null | null | null | 0.1219 | null | null | null | null | null | 1.007 | null | null | has coordinates | Cuthbertson, Eric; Frampton, Christopher S.; MacNicol, David D.
A comparison of 2,7-dihydro-2,2,7,7-tetramethyl-3,6-diphenyl-1,4,5-thiadiazepine and the corresponding 1,1-dioxide
Acta Crystallographica Section C
57(4)
(2001)
431-432 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/18/2011869.cif $
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2,011,870 | 18.9551 | 0.0011 | 11.4905 | 0.0007 | 8.1745 | 0.0004 | 90 | null | 90 | null | 90 | null | 1,780.44 | 0.17 | 123 | 1 | 123 | 1 | null | null | null | null | 5 | P b c n | -P 2n 2ab | 60 | Compound 2 | 2,7–dihydro–2,2,7,7–tetramethyl–3,6–diphenyl–1,4,5–thiadiazepine–1,1 –dioxide | - C20 H22 N2 O2 S - | - C20 H22 N2 O2 S - | - C80 H88 N8 O8 S4 - | 4 | 0.5 | FG1607 | Cuthbertson, Eric; Frampton, Christopher S.; MacNicol, David D. | A comparison of 2,7-dihydro-2,2,7,7-tetramethyl-3,6-diphenyl-1,4,5-thiadiazepine and the corresponding 1,1-dioxide | Acta Crystallographica Section C | 2,001 | 57 | 4 | 431 | 432 | 10.1107/S0108270100020564 | 0.71073 | MoKα | 0.0438 | 0.0337 | null | null | null | 0.0928 | null | null | null | null | null | 1.006 | null | null | has coordinates | Cuthbertson, Eric; Frampton, Christopher S.; MacNicol, David D.
A comparison of 2,7-dihydro-2,2,7,7-tetramethyl-3,6-diphenyl-1,4,5-thiadiazepine and the corresponding 1,1-dioxide
Acta Crystallographica Section C
57(4)
(2001)
431-432 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/18/2011870.cif $
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2,011,871 | 8.6663 | 0.0009 | 9.671 | 0.003 | 15.47 | 0.004 | 90 | null | 90 | null | 90 | null | 1,296.6 | 0.5 | 150 | 2 | 150 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | - C15 H20 O2 - | - C15 H20 O2 - | - C60 H80 O8 - | 4 | 1 | FG1617 | Ellis, Dianne D.; Spek, Anthony L. | (3<i>R</i>,4a<i>S</i>,5<i>R</i>)-3-Hydroxy-5-isopropenyl-3,8-dimethyl-4,4a,5,6-tetrahydro-2(3<i>H</i>)-naphthalenone | Acta Crystallographica Section C | 2,001 | 57 | 4 | 497 | 498 | 10.1107/S0108270101002049 | 0.71073 | MoKα | 0.0491 | 0.0395 | null | null | null | 0.1002 | null | null | null | null | null | 1.019 | null | null | has coordinates,has Fobs | Ellis, Dianne D.; Spek, Anthony L.
(3<i>R</i>,4a<i>S</i>,5<i>R</i>)-3-Hydroxy-5-isopropenyl-3,8-dimethyl-4,4a,5,6-tetrahydro-2(3<i>H</i>)-naphthalenone
Acta Crystallographica Section C
57(4)
(2001)
497-498 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/18/2011871.cif $
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2,011,872 | 9.494 | 0.002 | 15.936 | 0.003 | 7.137 | 0.0014 | 90 | null | 90 | null | 90 | null | 1,079.8 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P b c n | -P 2n 2ab | 60 | Dichloro(2,2'-diamino-4,4'-bi-1,3-thiazole-N^3^,N^3^')copper(II) | - C6 H6 Cl2 Cu N4 S2 - | - C6 H6 Cl2 Cu N4 S2 - | - C24 H24 Cl8 Cu4 N16 S8 - | 4 | 0.5 | FR1305 | Liu, Jia-Geng; Nie, Jing-Jing; Xu, Duan-Jun; Xu, Yuan-Zhi; Wu, Jing-Yun; Chiang, Michael Y. | Dichloro(2,2'-diamino-4,4'-bi-1,3-thiazole-<i>N</i>^3^,<i>N</i>^3'^)copper(II) | Acta Crystallographica Section C | 2,001 | 57 | 4 | 354 | 355 | 10.1107/S0108270100020163 | 0.71073 | MoKα | 0.027 | 0.023 | null | 0.063 | null | 0.061 | null | null | 1.13 | null | null | 1.153 | null | null | has coordinates,has Fobs | Liu, Jia-Geng; Nie, Jing-Jing; Xu, Duan-Jun; Xu, Yuan-Zhi; Wu, Jing-Yun; Chiang, Michael Y.
Dichloro(2,2'-diamino-4,4'-bi-1,3-thiazole-<i>N</i>^3^,<i>N</i>^3'^)copper(II)
Acta Crystallographica Section C
57(4)
(2001)
354-355 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/18/2011872.cif $
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2,011,873 | 16.785 | 0.003 | 10.211 | 0.002 | 14.054 | 0.003 | 90 | null | 102.54 | 0.03 | 90 | null | 2,351.3 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | [(2-(Imidazol-4-yl)ethylamine]{[2-(imidazol-4-yl) ethyl][(1-methylimidazol-2-yl)methyl]amine}copper(II) diperchlorate | - C15 H24 Cl2 Cu N8 O8 - | - C15 H24 Cl2 Cu N8 O8 - | - C60 H96 Cl8 Cu4 N32 O32 - | 4 | 1 | FR1308 | Scarpellini, Marciela; Neves, Ademir; Bortoluzzi, Adailton J.; Joussef, Antônio C. | [2-(Imidazol-4-yl)ethylamine]{[2-(imidazol-4-yl)ethyl][(1-methylimidazol-2-yl)methyl]amine}copper(II) diperchlorate | Acta Crystallographica Section C | 2,001 | 57 | 4 | 356 | 358 | 10.1107/S0108270100020254 | 0.71073 | MoKα | 0.115 | 0.043 | null | null | null | 0.114 | null | null | null | null | null | 1.021 | null | null | has coordinates,has Fobs | Scarpellini, Marciela; Neves, Ademir; Bortoluzzi, Adailton J.; Joussef, Antônio C.
[2-(Imidazol-4-yl)ethylamine]{[2-(imidazol-4-yl)ethyl][(1-methylimidazol-2-yl)methyl]amine}copper(II) diperchlorate
Acta Crystallographica Section C
57(4)
(2001)
356-358 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/18/2011873.cif $
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2,011,874 | 5.966 | 0.003 | 13.392 | 0.002 | 14.898 | 0.003 | 90 | null | 93.01 | 0.02 | 90 | null | 1,188.7 | 0.7 | 303 | 2 | 303 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C14 H12 Cl N O2 - | - C14 H12 Cl N O2 - | - C56 H48 Cl4 N4 O8 - | 4 | 1 | FR1313 | Elmali, Ayhan; Elerman, Yalc̨ın; Svoboda, Ingrid | 5-Chloro-<i>N</i>-(2-hydroxy-5-methylphenyl)salicylaldimine | Acta Crystallographica Section C | 2,001 | 57 | 4 | 485 | 486 | 10.1107/S0108270101000993 | 0.71073 | MoKα | 0.042 | 0.037 | null | null | null | 0.1063 | null | null | null | null | null | 1.069 | null | null | has coordinates,has Fobs | Elmali, Ayhan; Elerman, Yalc̨ın; Svoboda, Ingrid
5-Chloro-<i>N</i>-(2-hydroxy-5-methylphenyl)salicylaldimine
Acta Crystallographica Section C
57(4)
(2001)
485-486 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,011,875 | 10.601 | 0.002 | 8.673 | 0.002 | 15.322 | 0.005 | 90 | null | 103.81 | 0.02 | 90 | null | 1,368 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 4-ethoxycarbonyl-3-hydroxy-3-phenylcyclohexanone | - C15 H18 O4 - | - C15 H18 O4 - | - C60 H72 O16 - | 4 | 1 | FR1318 | Hernández-Ortega, Simón; Jiménez-Cruz, Federico; Ríos-Olivares, Héctor; Rubio-Arroyo, Manuel | 4-Ethoxycarbonyl-3-hydroxy-3-phenylcyclohexanone | Acta Crystallographica Section C | 2,001 | 57 | 4 | 425 | 427 | 10.1107/S0108270100020461 | 0.71073 | MoKα | 0.14 | 0.048 | null | null | null | 0.128 | null | null | null | null | null | 0.765 | null | null | has coordinates | Hernández-Ortega, Simón; Jiménez-Cruz, Federico; Ríos-Olivares, Héctor; Rubio-Arroyo, Manuel
4-Ethoxycarbonyl-3-hydroxy-3-phenylcyclohexanone
Acta Crystallographica Section C
57(4)
(2001)
425-427 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/18/2011875.cif $
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2,011,876 | 12.538 | 0.004 | 16.239 | 0.006 | 7.866 | 0.005 | 90 | null | 90 | null | 90 | null | 1,601.6 | 1.3 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | C m c m | -C 2c 2 | 63 | Pentacarbonyl(4-phenylpyridine)tungsten(0) | - C16 H9 N O5 W - | - C16 H9 N O5 W - | - C64 H36 N4 O20 W4 - | 4 | 0.25 | GD1123 | Creaven, Bernadette S.; Howie, R. Alan; .; Long, Conor; . | Pentacarbonyl(4-phenylpyridine)tungsten(0) and pentacarbonyl(2-phenylpyridine)chromium(0) | Acta Crystallographica Section C | 2,001 | 57 | 4 | 385 | 387 | 10.1107/S0108270101000622 | 0.71073 | MoKα | 0.037 | 0.032 | null | null | null | 0.072 | null | null | null | null | null | 1.083 | null | null | has coordinates,has Fobs | Creaven, Bernadette S.; Howie, R. Alan; .; Long, Conor; .
Pentacarbonyl(4-phenylpyridine)tungsten(0) and pentacarbonyl(2-phenylpyridine)chromium(0)
Acta Crystallographica Section C
57(4)
(2001)
385-387 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,011,877 | 6.223 | 0.004 | 13.635 | 0.012 | 18.17 | 0.009 | 90 | null | 92.6 | 0.05 | 90 | null | 1,540.1 | 1.8 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Pentacarbonyl(2-phenylpyridine)chromium(0) | - C16 H9 Cr N O5 - | - C16 H9 Cr N O5 - | - C64 H36 Cr4 N4 O20 - | 4 | 1 | GD1123 | Creaven, Bernadette S.; Howie, R. Alan; Long, Conor | Pentacarbonyl(4-phenylpyridine)tungsten(0) and pentacarbonyl(2-phenylpyridine)chromium(0) | Acta Crystallographica Section C | 2,001 | 57 | 4 | 385 | 387 | 10.1107/S0108270101000622 | 0.71073 | MoKα | 0.203 | 0.087 | null | null | null | 0.157 | null | null | null | null | null | 1.026 | null | null | has coordinates,has Fobs | Creaven, Bernadette S.; Howie, R. Alan; Long, Conor
Pentacarbonyl(4-phenylpyridine)tungsten(0) and pentacarbonyl(2-phenylpyridine)chromium(0)
Acta Crystallographica Section C
57(4)
(2001)
385-387 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,011,878 | 6.65 | 0.0012 | 12.261 | 0.003 | 16.058 | 0.003 | 90 | null | 92.19 | 0.03 | 90 | null | 1,308.3 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Di-μ-chloro-dicarbonyl-cis,cis-η^4^-1,5-cyclooctadienedirhodium(I) | - C10 H12 Cl2 O2 Rh2 - | - C10 H12 Cl2 O2 Rh2 - | - C40 H48 Cl8 O8 Rh8 - | 4 | 1 | GD1124 | Abou Rida, Maurice; Saikaili, Joseph; Smith, Anthony K.; Thozet, Alain | Dicarbonyldi-μ-chloro-<i>cis,cis</i>-η^4^-1,5-cyclooctadienedirhodium(I) | Acta Crystallographica Section C | 2,001 | 57 | 4 | 352 | 353 | 10.1107/S0108270100020035 | 0.71069 | MoKα | 0.1182 | 0.0671 | null | null | null | 0.196 | null | null | null | null | null | 1.118 | null | null | has coordinates,has Fobs | Abou Rida, Maurice; Saikaili, Joseph; Smith, Anthony K.; Thozet, Alain
Dicarbonyldi-μ-chloro-<i>cis,cis</i>-η^4^-1,5-cyclooctadienedirhodium(I)
Acta Crystallographica Section C
57(4)
(2001)
352-353 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,011,879 | 7.017 | 0.001 | 7.307 | 0.001 | 18.091 | 0.001 | 94.673 | 0.003 | 92.059 | 0.003 | 106.633 | 0.003 | 884.11 | 0.18 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | sulfasalazine | 2-hydroxy-5-[[4-[(2-pyridinylamino)sulfonyl]phenyl]azo]benzoic acid | - C18 H14 N4 O5 S - | - C18 H14 N4 O5 S - | - C36 H28 N8 O10 S2 - | 2 | 1 | GD1126 | Filip, Lorena A.; Caira, Mino R.; Fǎrcaş, Sorin I.; Bojiţǎ, Marius T. | Triclinic polymorph of sulfasalazine | Acta Crystallographica Section C | 2,001 | 57 | 4 | 435 | 436 | 10.1107/S0108270100020771 | 0.71073 | MoKα | 0.0643 | 0.0428 | null | null | null | 0.1134 | null | null | null | null | null | 1.032 | null | null | has coordinates,has Fobs | Filip, Lorena A.; Caira, Mino R.; Fǎrcaş, Sorin I.; Bojiţǎ, Marius T.
Triclinic polymorph of sulfasalazine
Acta Crystallographica Section C
57(4)
(2001)
435-436 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,011,880 | 6.318 | 0.003 | 15.867 | 0.01 | 7.571 | 0.004 | 90 | null | 115.03 | 0.03 | 90 | null | 687.7 | 0.7 | 150 | 2 | 150 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | 4-Ethynyl-1,2-methylenedioxybenzene | - C9 H6 O2 - | - C9 H6 O2 - | - C36 H24 O8 - | 4 | 1 | GD1130 | Lawrence, Simon E.; Blake, Alexander J.; Maguire, Anita R.; Moynihan, Edmond J.A. | 4-Ethynyl-1,2-methylenedioxybenzene at 150K | Acta Crystallographica Section C | 2,001 | 57 | 4 | 412 | 413 | 10.1107/S0108270100019909 | 0.71073 | MoKα | 0.175 | 0.086 | null | null | null | 0.163 | null | null | null | null | null | 1.153 | null | null | has coordinates,has Fobs | Lawrence, Simon E.; Blake, Alexander J.; Maguire, Anita R.; Moynihan, Edmond J.A.
4-Ethynyl-1,2-methylenedioxybenzene at 150K
Acta Crystallographica Section C
57(4)
(2001)
412-413 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/18/2011880.cif $
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2,011,881 | 8.0746 | 0.0008 | 11.4613 | 0.0011 | 9.1121 | 0.0009 | 90 | null | 90.338 | 0.002 | 90 | null | 843.27 | 0.14 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | pseudokobusine | Hetisan-6, 11(β), 15(β)-triol | - C20 H27 N O3 - | - C20 H27 N O3 - | - C40 H54 N2 O6 - | 2 | 1 | GG9019 | Mehmet Akkurt | Pseudokobusine. Erratum | Acta Crystallographica Section C | 2,001 | 57 | 4 | 500 | 500 | 10.1107/S0108270101003948 | 0.71073 | MoKα | 0.097 | 0.044 | null | null | null | 0.094 | null | null | null | null | null | 0.813 | null | null | has coordinates | Mehmet Akkurt
Pseudokobusine. Erratum
Acta Crystallographica Section C
57(4)
(2001)
500-500 | 201,957 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201957 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/18/2011881.cif $
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2,011,882 | 3.1546 | 0.0006 | 9.988 | 0.002 | 9.6769 | 0.0019 | 90 | null | 90 | null | 90 | null | 304.9 | 0.1 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P b c m | -P 2c 2b | 57 | Calcium dimanganese Oxide | Calcium dimanganese(III) Oxide | - Ca Mn2 O4 - | - Ca Mn2 O4 - | - Ca4 Mn8 O16 - | 4 | 0.5 | IZ1001 | Giesber, Henry G.; Pennington, William T.; Kolis, Joseph W. | Redetermination of CaMn~2~O~4~ | Acta Crystallographica Section C | 2,001 | 57 | 4 | 329 | 330 | 10.1107/S0108270100011367 | 0.71073 | MoKα | 0.0225 | 0.0224 | null | 0.0515 | null | 0.0515 | null | null | 1.332 | null | null | 1.332 | null | null | has coordinates | Giesber, Henry G.; Pennington, William T.; Kolis, Joseph W.
Redetermination of CaMn~2~O~4~
Acta Crystallographica Section C
57(4)
(2001)
329-330 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/18/2011882.cif $
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2,011,883 | 10.4889 | 0.0008 | 8.1503 | 0.0009 | 7.244 | 0.0012 | 90 | null | 90 | null | 90 | null | 619.27 | 0.13 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P n m a | -P 2ac 2n | 62 | barium oxo-aluminate hydride | - Al Ba3 H O4 - | - Al Ba3 H O4 - | - Al4 Ba12 H4 O16 - | 4 | 0.5 | IZ1007 | Zumdick, Markus; Althoff, Gerhard; Röhr, Caroline | Barium oxoaluminate hydride | Acta Crystallographica Section C | 2,001 | 57 | 4 | 339 | 340 | 10.1107/S0108270100020229 | 0.7107 | MoKα | 0.0251 | 0.0225 | null | null | null | 0.0543 | null | null | null | null | null | 1.129 | null | null | has coordinates,has Fobs | Zumdick, Markus; Althoff, Gerhard; Röhr, Caroline
Barium oxoaluminate hydride
Acta Crystallographica Section C
57(4)
(2001)
339-340 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/18/2011883.cif $
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2,011,884 | 9.9639 | 0.0006 | 9.9639 | 0.0006 | 9.3806 | 0.0009 | 90 | null | 90 | null | 90 | null | 931.3 | 0.12 | 298 | 5 | 293 | 2 | null | null | null | null | 5 | I 41/a :2 | -I 4ad | 88 | Gismondine | - Ga5.76 H6.8 K5.76 O35.36 Si10.24 - | - Ga5.76 K5.76 O35.36 Si10.24 - | - Ga5.76 K5.76 O35.36 Si10.24 - | 1 | 0.0625 | IZ1009 | Tripathi, Akhilesh; Parise, John; Kim, Sun Jin; Lee, Yongjae; Uh, Young Sun | K~5.76~Ga~5.76~Si~10.24~O~32~·3.4H~2~O, a gallosilicate with the zeolite gismondine topology | Acta Crystallographica Section C | 2,001 | 57 | 4 | 344 | 346 | 10.1107/S0108270100021090 | 0.643 | Synchrotron | 0.0844 | 0.0671 | null | null | null | 0.1558 | null | null | null | null | null | 1.131 | null | null | has coordinates,has Fobs | Tripathi, Akhilesh; Parise, John; Kim, Sun Jin; Lee, Yongjae; Uh, Young Sun
K~5.76~Ga~5.76~Si~10.24~O~32~·3.4H~2~O, a gallosilicate with the zeolite gismondine topology
Acta Crystallographica Section C
57(4)
(2001)
344-346 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/18/2011884.cif $
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2,011,885 | 8.8047 | 0.0002 | 8.8047 | 0.0002 | 5.4329 | 0.0002 | 90 | null | 90 | null | 90 | null | 421.17 | 0.02 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | I -4 2 d | I -4 2bw | 122 | zinc cyanamide | zinc cyanamide | - C N2 Zn - | - C N2 Zn - | - C8 N16 Zn8 - | 8 | 0.5 | IZ1010 | Becker, Michael; Jansen, Martin | Zinc cyanamide, Zn(CN~2~) | Acta Crystallographica Section C | 2,001 | 57 | 4 | 347 | 348 | 10.1107/S0108270101000865 | 0.71073 | MoKα | 0.0268 | 0.0233 | null | null | null | 0.0534 | null | null | null | null | null | 1.007 | null | null | has coordinates,has Fobs | Becker, Michael; Jansen, Martin
Zinc cyanamide, Zn(CN~2~)
Acta Crystallographica Section C
57(4)
(2001)
347-348 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/18/2011885.cif $
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2,011,886 | 8.6469 | 0.0005 | 17.8651 | 0.0008 | 28.7434 | 0.0015 | 90 | null | 90 | null | 90 | null | 4,440.2 | 0.4 | 193 | 2 | 193 | 2 | null | null | null | null | 6 | P b c a | -P 2ac 2ab | 61 | (Dicyanamido)bis(2,2'-bipyridine)copper(II) tetrafluoroborate | - C22 H16 B Cu F4 N7 - | - C22 H16 B Cu F4 N7 - | - C176 H128 B8 Cu8 F32 N56 - | 8 | 1 | JZ1434 | Potočňák, Ivan; Dunaj-Jurčo, Michal; Mikloš, Dušan; Massa, Werner; Jäger, Lothar | Bis(2,2'-bipyridine)(dicyanamido)copper(II) tetrafluoroborate | Acta Crystallographica Section C | 2,001 | 57 | 4 | 363 | 365 | 10.1107/S0108270100020503 | 0.71073 | MoKα | 0.087 | 0.045 | null | null | null | 0.141 | null | null | null | null | null | 0.865 | null | null | has coordinates,has Fobs | Potočňák, Ivan; Dunaj-Jurčo, Michal; Mikloš, Dušan; Massa, Werner; Jäger, Lothar
Bis(2,2'-bipyridine)(dicyanamido)copper(II) tetrafluoroborate
Acta Crystallographica Section C
57(4)
(2001)
363-365 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/18/2011886.cif $
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2,011,887 | 9.0382 | 0.0007 | 19.2008 | 0.0013 | 11.9087 | 0.0008 | 90 | null | 96.579 | 0.006 | 90 | null | 2,053 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | (Z)-1-(4,5-dinitroimidazol-1-yl)-3-morpholinopropan-2-one 2,4-dinitrophenylhydrazone | - C16 H17 N9 O9 - | - C16 H17 N9 O9 - | - C64 H68 N36 O36 - | 4 | 1 | JZ1436 | Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram | Azole. 45. Über 2,4-Dinitrophenylhydrazone von Morpholinonitroimidazolderivaten | Acta Crystallographica Section C | 2,001 | 57 | 4 | 462 | 466 | 10.1107/S0108270101000270 | 1.54178 | CuKα | 0.055 | 0.042 | null | null | null | 0.127 | null | null | null | null | null | 1.077 | null | null | has coordinates,has Fobs | Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram
Azole. 45. Über 2,4-Dinitrophenylhydrazone von Morpholinonitroimidazolderivaten
Acta Crystallographica Section C
57(4)
(2001)
462-466 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/18/2011887.cif $
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2,011,888 | 8.0664 | 0.0006 | 12.3698 | 0.001 | 13.228 | 0.0013 | 111.282 | 0.008 | 106.037 | 0.007 | 90.735 | 0.006 | 1,172.55 | 0.19 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | (Z)-1-(4-morpholino-5-nitroimidazol-1-yl)-3-morpholinopropan-2-one 2,4-dinitrophenylhydrazone | - C20 H25 N9 O8 - | - C20 H25 N9 O8 - | - C40 H50 N18 O16 - | 2 | 1 | JZ1436 | Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram | Azole. 45. Über 2,4-Dinitrophenylhydrazone von Morpholinonitroimidazolderivaten | Acta Crystallographica Section C | 2,001 | 57 | 4 | 462 | 466 | 10.1107/S0108270101000270 | 1.54178 | CuKα | 0.045 | 0.036 | null | null | null | 0.106 | null | null | null | null | null | 1.037 | null | null | has coordinates,has Fobs | Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram
Azole. 45. Über 2,4-Dinitrophenylhydrazone von Morpholinonitroimidazolderivaten
Acta Crystallographica Section C
57(4)
(2001)
462-466 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/18/2011888.cif $
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2,011,889 | 7.2885 | 0.0006 | 27.686 | 0.002 | 14.3642 | 0.0011 | 90 | null | 101.707 | 0.008 | 90 | null | 2,838.2 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | (E)-1-(4-morpholino-5-nitroimidazol-1-yl)-3-morpholinopropan-2-one 2,4-dinitrophenylhydrazone tetrahydrofuran solvate | - C24 H33 N9 O9 - | - C24 H33 N9 O9 - | - C96 H132 N36 O36 - | 4 | 1 | JZ1436 | Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram | Azole. 45. Über 2,4-Dinitrophenylhydrazone von Morpholinonitroimidazolderivaten | Acta Crystallographica Section C | 2,001 | 57 | 4 | 462 | 466 | 10.1107/S0108270101000270 | 1.54178 | CuKα | 0.065 | 0.046 | null | null | null | 0.154 | null | null | null | null | null | 1.048 | null | null | has coordinates,has Fobs | Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram
Azole. 45. Über 2,4-Dinitrophenylhydrazone von Morpholinonitroimidazolderivaten
Acta Crystallographica Section C
57(4)
(2001)
462-466 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/18/2011889.cif $
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2,011,890 | 12.3403 | 0.0008 | 18.3849 | 0.0017 | 8.5868 | 0.0006 | 90 | null | 91.958 | 0.008 | 90 | null | 1,947 | 0.3 | 153 | 2 | 153 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C24 H18 N4 O - | - C24 H18 N4 O - | - C96 H72 N16 O4 - | 4 | 1 | JZ1445 | Ana Tesouro Vallina; Helen Stoeckli-Evans | Bis[4-(2-pyridylmethyleneamino)phenyl] ether | Acta Crystallographica Section C | 2,001 | 57 | 4 | 489 | 490 | 10.1107/S0108270101001111 | 0.71073 | MoKα | 0.0462 | 0.0347 | null | null | null | 0.0942 | null | null | null | null | null | 1.015 | null | null | has coordinates | Ana Tesouro Vallina; Helen Stoeckli-Evans
Bis[4-(2-pyridylmethyleneamino)phenyl] ether
Acta Crystallographica Section C
57(4)
(2001)
489-490 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,011,891 | 11.749 | 0.001 | 12.296 | 0.001 | 14.591 | 0.001 | 90 | null | 107.544 | 0.003 | 90 | null | 2,009.9 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/a 1 | -P 2yab | 14 | Diethylammonium [2-(2,6-dichlorophenylamino)phenyl]acetate hydrate | - C18 H24 Cl2 N2 O3 - | - C18 H24 Cl2 N2 O3 - | - C72 H96 Cl8 N8 O12 - | 4 | 1 | NA1485 | Castellari, Carlo; Comelli, Fabio; Ottani, Stefano | Anti-inflammatory drugs. IX. Hydrated diethylammonium [2-(2,6-dichlorophenylamino)phenyl]acetate (HDEA·D·H~2~O) | Acta Crystallographica Section C | 2,001 | 57 | 4 | 437 | 438 | 10.1107/S010827010002076X | 0.71073 | MoKα | 0.097 | 0.048 | null | 0.146 | null | 0.121 | null | null | 0.9 | null | null | 1.055 | null | null | has coordinates,has Fobs | Castellari, Carlo; Comelli, Fabio; Ottani, Stefano
Anti-inflammatory drugs. IX. Hydrated diethylammonium [2-(2,6-dichlorophenylamino)phenyl]acetate (HDEA·D·H~2~O)
Acta Crystallographica Section C
57(4)
(2001)
437-438 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,011,892 | 6.5984 | 0.0005 | 7.1839 | 0.0004 | 11.2817 | 0.0006 | 103.084 | 0.004 | 98.38 | 0.005 | 102.485 | 0.005 | 497.81 | 0.06 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C12 H11 N O3 - | - C12 H11 N O3 - | - C24 H22 N2 O6 - | 2 | 1 | NA1499 | Ellis, Dianne D.; Spek, Anthony L. | 3-(1-Hydroxyethylidene)-1-phenylpyrrolidine-2,4-dione | Acta Crystallographica Section C | 2,001 | 57 | 4 | 433 | 434 | 10.1107/S0108270100020758 | 0.71073 | MoKα | 0.0677 | 0.0439 | null | null | null | 0.1155 | null | null | null | null | null | 1.022 | null | null | has coordinates,has Fobs | Ellis, Dianne D.; Spek, Anthony L.
3-(1-Hydroxyethylidene)-1-phenylpyrrolidine-2,4-dione
Acta Crystallographica Section C
57(4)
(2001)
433-434 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,011,893 | 6.5843 | 0.0005 | 10.404 | 0.0007 | 22.3443 | 0.0012 | 90 | null | 90 | null | 90 | null | 1,530.65 | 0.18 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | (5S,9S,17S)-9(10→5)-abeo-4,5-dihydroestrene-17-hydroxy-3,10-dione | - C18 H26 O3 - | - C18 H26 O3 - | - C72 H104 O12 - | 4 | 1 | NA1501 | Pilati, Tullio; Casalone, Gianluigi | Two 17-hydroxy-9(10→ 5)-<i>abeo</i>-estr-4-ene-3,10-diones | Acta Crystallographica Section C | 2,001 | 57 | 4 | 495 | 496 | 10.1107/S0108270101001767 | 0.71073 | MoKα | 0.0426 | 0.0345 | null | null | null | 0.0861 | null | null | null | null | null | 0.979 | null | null | has coordinates,has Fobs | Pilati, Tullio; Casalone, Gianluigi
Two 17-hydroxy-9(10→ 5)-<i>abeo</i>-estr-4-ene-3,10-diones
Acta Crystallographica Section C
57(4)
(2001)
495-496 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/18/2011893.cif $
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2,011,894 | 6.6278 | 0.0005 | 11.1491 | 0.0009 | 21.1609 | 0.0019 | 90 | null | 90 | null | 90 | null | 1,563.7 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | (5R,9R,17S)-9(10→5)-abeo-4,5-dihydroestrene-17-hydroxy-3,10-dione | - C18 H26 O3 - | - C18 H26 O3 - | - C72 H104 O12 - | 4 | 1 | NA1501 | Pilati, Tullio; Casalone, Gianluigi | Two 17-hydroxy-9(10→ 5)-<i>abeo</i>-estr-4-ene-3,10-diones | Acta Crystallographica Section C | 2,001 | 57 | 4 | 495 | 496 | 10.1107/S0108270101001767 | 0.71073 | MoKα | 0.065 | 0.0393 | null | null | null | 0.0915 | null | null | null | null | null | 0.96 | null | null | has coordinates,has Fobs | Pilati, Tullio; Casalone, Gianluigi
Two 17-hydroxy-9(10→ 5)-<i>abeo</i>-estr-4-ene-3,10-diones
Acta Crystallographica Section C
57(4)
(2001)
495-496 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,011,895 | 12.826 | 0.002 | 7.392 | 0.001 | 11.447 | 0.002 | 90 | null | 90 | null | 90 | null | 1,085.3 | 0.3 | 200 | 2 | 200 | null | null | null | null | null | 6 | P n m a | -P 2ac 2n | 62 | diiodo-3,4,5,6-tetrahydropyrimidinium-2-thiolato mercury(II) | - C4 H8 Hg I2 N2 S - | - C4 H8 Hg I2 N2 S - | - C16 H32 Hg4 I8 N8 S4 - | 4 | 0.5 | NA1502 | Matković-Čalogović, Dubravka; Popović, Zora; Pavlović, Gordana; Soldin, Željka; Giester, Gerald | Diiodo(3,4,5,6-tetrahydropyrimidinium-2-thiolato-<i>S</i>)mercury(II) | Acta Crystallographica Section C | 2,001 | 57 | 4 | 409 | 411 | 10.1107/S0108270101001822 | 0.71073 | MoKα | 0.0293 | 0.0247 | null | null | null | 0.0565 | null | null | null | null | null | 1.116 | null | null | has coordinates | Matković-Čalogović, Dubravka; Popović, Zora; Pavlović, Gordana; Soldin, Željka; Giester, Gerald
Diiodo(3,4,5,6-tetrahydropyrimidinium-2-thiolato-<i>S</i>)mercury(II)
Acta Crystallographica Section C
57(4)
(2001)
409-411 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,011,896 | 28.485 | 0.002 | 12.964 | 0.003 | 5.413 | 0.002 | 90 | null | 93.27 | 0.03 | 90 | null | 1,995.7 | 0.9 | 293 | null | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | Trimethorprim maleate | - C18 H22 N4 O7 - | - C18 H22 N4 O7 - | - C72 H88 N16 O28 - | 4 | 1 | OA1113 | Prabakaran, Ponraj; Justin Robert, Jebamony; Thomas Muthiah, Packianathan; Bocelli, Gabriele; Righi, Lara | Aminopyrimidine–carboxyl(ate) interactions in trimethoprim maleate, an antifolate drug | Acta Crystallographica Section C | 2,001 | 57 | 4 | 459 | 461 | 10.1107/S0108270101000269 | 1.54178 | CuKα | 0.1465 | 0.0651 | null | null | null | 0.2569 | null | null | null | null | null | 0.911 | null | null | has coordinates,has Fobs | Prabakaran, Ponraj; Justin Robert, Jebamony; Thomas Muthiah, Packianathan; Bocelli, Gabriele; Righi, Lara
Aminopyrimidine–carboxyl(ate) interactions in trimethoprim maleate, an antifolate drug
Acta Crystallographica Section C
57(4)
(2001)
459-461 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/18/2011896.cif $
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2,011,897 | 11.046 | 0.003 | 27.336 | 0.004 | 6.707 | 0.006 | 90 | null | 97.45 | 0.04 | 90 | null | 2,008.1 | 1.9 | 296.2 | null | null | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C16 H14 As Cl2 N4 - | - C16 H14 As Cl2 N4 - | - C64 H56 As4 Cl8 N16 - | 4 | 0.5 | OA1116 | Ueda, Kazumasa; Sugimoto, Toyonari; Tada, Toshiji; Nishimura, Kei-ichiro; Mochida, Tomoyuki | A uniform and one-dimensional stacking of 2,5-dichlorotetracyanoquinodimethanide molecules in the tetramethylarsonium salt | Acta Crystallographica Section C | 2,001 | 57 | 4 | 400 | 402 | 10.1107/S0108270101000245 | 0.7107 | MoKα | null | 0.0626 | null | null | null | 0.0905 | null | null | null | null | null | 1.954 | null | null | has coordinates | Ueda, Kazumasa; Sugimoto, Toyonari; Tada, Toshiji; Nishimura, Kei-ichiro; Mochida, Tomoyuki
A uniform and one-dimensional stacking of 2,5-dichlorotetracyanoquinodimethanide molecules in the tetramethylarsonium salt
Acta Crystallographica Section C
57(4)
(2001)
400-402 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/18/2011897.cif $
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2,011,898 | 8.5981 | 0.0003 | 5.1355 | 0.0002 | 18.2159 | 0.0007 | 90 | null | 90 | null | 90 | null | 804.33 | 0.05 | 253 | 2 | 253 | 1 | null | null | null | null | 4 | P b c n | -P 2n 2ab | 60 | 3,3'-Selenobis(propionic acid) | - C6 H10 O4 Se - | - C6 H10 O4 Se - | - C24 H40 O16 Se4 - | 4 | 0.5 | OS1132 | Doudin, Khaled I.; Songstad, Jon; Törnroos, Karl W. | 3,3'-Selenobis(propionic acid) | Acta Crystallographica Section C | 2,001 | 57 | 4 | 439 | 440 | 10.1107/S0108270100021077 | 0.71073 | MoKα | 0.0335 | 0.0232 | null | null | null | 0.0612 | null | null | null | null | null | 1.15 | null | null | has coordinates,has Fobs | Doudin, Khaled I.; Songstad, Jon; Törnroos, Karl W.
3,3'-Selenobis(propionic acid)
Acta Crystallographica Section C
57(4)
(2001)
439-440 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,011,899 | 5.7502 | 0.0009 | 5.7502 | 0.0009 | 8.637 | 0.003 | 90 | null | 90 | null | 90 | null | 285.58 | 0.12 | 293 | null | 293 | null | null | null | null | null | 3 | I 41/a m d :2 | -I 4bd 2 | 141 | - Li0.91 Mn2.09 O4 - | - Li0.907 Mn2.093 O4 - | - Li3.628 Mn8.372 O16 - | 4 | 0.125 | SK1365 | Björk, Helen; Dabkowska, Hanna; Greedan, John E.; Gustafsson, Torbjörn; Thomas, John O. | (Li~0.91~Mn~0.09~)Mn~2~O~4~ | Acta Crystallographica Section C | 2,001 | 57 | 4 | 331 | 332 | 10.1107/S0108270100019430 | 0.71073 | MolybdenumKα~1~ | 0.038 | 0.038 | null | 0.083 | null | 0.083 | null | null | null | null | null | 3.94 | null | null | has coordinates,has Fobs | Björk, Helen; Dabkowska, Hanna; Greedan, John E.; Gustafsson, Torbjörn; Thomas, John O.
(Li~0.91~Mn~0.09~)Mn~2~O~4~
Acta Crystallographica Section C
57(4)
(2001)
331-332 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/18/2011899.cif $
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2,011,900 | 7.382 | 0.003 | 18.187 | 0.011 | 5.413 | 0.002 | 90 | null | 90 | null | 90 | null | 726.7 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | A m a 2 | A 2 -2a | 40 | Rubidiumdicoppervanadiumtetrasulfide | Rubidiumdicoppervanadiumtetrasulfide | - Cu2 Rb S4 V - | - Cu2 Rb S4 V - | - Cu8 Rb4 S16 V4 - | 4 | 0.5 | SK1402 | Tillinski, Ralf; Näther, Christian; Bensch, Wolfgang | RbCu~2~VS~4~ | Acta Crystallographica Section C | 2,001 | 57 | 4 | 333 | 334 | 10.1107/S0108270100019442 | 0.71073 | MoKα | 0.058 | 0.033 | null | null | null | 0.078 | null | null | 1.039 | 1.08 | 1.08 | null | null | null | has coordinates,has Fobs | Tillinski, Ralf; Näther, Christian; Bensch, Wolfgang
RbCu~2~VS~4~
Acta Crystallographica Section C
57(4)
(2001)
333-334 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/19/2011900.cif $
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2,011,901 | 13.852 | 0.0003 | 20.076 | 0.0004 | 10.474 | 0.0002 | 90 | null | 125.066 | 0.0012 | 90 | null | 2,384.05 | 0.09 | 150 | 2 | 150 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | [1,6-bis(dimethylamino)methyl]phenyl}diphenyltin bromine monohydrate | - C24 H31 Br N2 O Sn - | - C24 H31 Br N2 O Sn - | - C96 H124 Br4 N8 O4 Sn4 - | 4 | 0.5 | SK1427 | Jambor, Roman; Císařová, Ivana; Rǔžička, Aleš; Holeček, Jaroslav | {2,6-Bis[(dimethylamino)methyl]phenyl-<i>N</i>^2^,<i>C</i>^1^,<i>N</i>^6^}diphenyltin(II) bromide monohydrate | Acta Crystallographica Section C | 2,001 | 57 | 4 | 373 | 374 | 10.1107/S0108270101000026 | 0.71073 | MoKα | 0.0211 | 0.0202 | null | null | null | 0.0503 | null | null | null | null | null | 1.114 | null | null | has coordinates,has Fobs | Jambor, Roman; Císařová, Ivana; Rǔžička, Aleš; Holeček, Jaroslav
{2,6-Bis[(dimethylamino)methyl]phenyl-<i>N</i>^2^,<i>C</i>^1^,<i>N</i>^6^}diphenyltin(II) bromide monohydrate
Acta Crystallographica Section C
57(4)
(2001)
373-374 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/19/2011901.cif $
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2,011,902 | 8.558 | 0.003 | 12.989 | 0.003 | 24.991 | 0.005 | 90 | null | 90 | null | 90 | null | 2,778 | 1.3 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P 21 21 21 | P 2ac 2ab | 19 | - C34 H22 Cl Fe N2 O2 S2 - | - C34 H22 Cl Fe N2 O2 S2 - | - C136 H88 Cl4 Fe4 N8 O8 S8 - | 4 | 1 | SK1428 | Elmali, Ayhan; Elerman, Yalc̨ın; Svoboda, Ingrid | {Bis[2-(2-oxido-1-naphthylmethylideneamino)phenyl] disulfide}chloroiron(III) | Acta Crystallographica Section C | 2,001 | 57 | 4 | 375 | 376 | 10.1107/S0108270101000038 | 0.71073 | MoKα | 0.029 | 0.024 | null | null | null | 0.067 | null | null | null | null | null | 1.078 | null | null | has coordinates,has Fobs | Elmali, Ayhan; Elerman, Yalc̨ın; Svoboda, Ingrid
{Bis[2-(2-oxido-1-naphthylmethylideneamino)phenyl] disulfide}chloroiron(III)
Acta Crystallographica Section C
57(4)
(2001)
375-376 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
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2,011,903 | 9.5078 | 0.0002 | 9.5078 | 0.0002 | 87.797 | 0.002 | 90 | null | 90 | null | 120 | null | 6,873.4 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | R -3 :H | -R 3 | 148 | - Mo21 Rb4 Se24 - | - Mo21 Rb4 Se24 - | - Mo126 Rb24 Se144 - | 6 | 0.333333 | SK1436 | Picard, S.; Gougeon, P.; Potel, M. | Rb~4~Mo~21~Se~24~ containing Mo~12~ and Mo~15~ clusters | Acta Crystallographica Section C | 2,001 | 57 | 4 | 335 | 336 | 10.1107/S0108270100019466 | 0.71073 | MoKα | 0.118 | 0.051 | null | null | null | 0.117 | null | null | null | null | null | 0.959 | null | null | has coordinates | Picard, S.; Gougeon, P.; Potel, M.
Rb~4~Mo~21~Se~24~ containing Mo~12~ and Mo~15~ clusters
Acta Crystallographica Section C
57(4)
(2001)
335-336 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,011,904 | 9.71 | 0.002 | 10.3412 | 0.0012 | 11.051 | 0.002 | 89.442 | 0.011 | 82.317 | 0.014 | 70.628 | 0.008 | 1,036.7 | 0.3 | 143 | 2 | 143 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | Dimethyl dispiro[tricyclo[3.3.1.1^3,7^]decan-1,2'-bicyclo[1.1.0]butan-4',1"- tricyclo[3.3.1.1^3,7^]decane]-1',3'-dicarboxylate | - C26 H34 O4 - | - C26 H34 O4 - | - C52 H68 O8 - | 2 | 1 | SK1443 | Bats, Jan W.; Bolte, Michael; Grundl, Marc A.; Hashmi, A. Stephen K. | Dimethyl dispiro[tricyclo[3.3.1.1^3,7^]decane-1,2'-bicyclo[1.1.0]butane-4',1''-tricyclo[3.3.1.1^3,7^]decane]-1',3'-dicarboxylate, a strain-enhanced bicyclo[1.1.0]butane with a very short intramolecular C—H···H—C contact | Acta Crystallographica Section C | 2,001 | 57 | 4 | 441 | 443 | 10.1107/S010827010100004X | 0.71073 | MoKα | 0.051 | 0.04 | null | null | null | 0.108 | null | null | null | null | null | 1.06 | null | null | has coordinates | Bats, Jan W.; Bolte, Michael; Grundl, Marc A.; Hashmi, A. Stephen K.
Dimethyl dispiro[tricyclo[3.3.1.1^3,7^]decane-1,2'-bicyclo[1.1.0]butane-4',1''-tricyclo[3.3.1.1^3,7^]decane]-1',3'-dicarboxylate, a strain-enhanced bicyclo[1.1.0]butane with a very short intramolecular C—H···H—C contact
Acta Crystallographica Section ... | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
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2,011,905 | 11.459 | 0.002 | 9.7078 | 0.0011 | 13.468 | 0.004 | 90 | null | 90 | null | 90 | null | 1,498.2 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | Poly[copper(I)-μ-bromo-μ-2,3-dimethylpyrazine-N:N'] | - C6 H8 Br Cu N2 - | - C6 H8 Br Cu N2 - | - C48 H64 Br8 Cu8 N16 - | 8 | 1 | SK1444 | Näther, Christian; Greve, Jan | Poly[copper(I)-μ-bromo-μ-2,3-dimethylpyrazine-<i>N</i>:<i>N</i>'] | Acta Crystallographica Section C | 2,001 | 57 | 4 | 377 | 378 | 10.1107/S0108270101000051 | 0.71073 | MoKα | 0.057 | 0.032 | null | null | null | 0.085 | null | null | null | null | null | 1.048 | null | null | has coordinates,has Fobs | Näther, Christian; Greve, Jan
Poly[copper(I)-μ-bromo-μ-2,3-dimethylpyrazine-<i>N</i>:<i>N</i>']
Acta Crystallographica Section C
57(4)
(2001)
377-378 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,011,906 | 21.186 | 0.004 | 21.186 | 0.004 | 36.633 | 0.001 | 90 | null | 90 | null | 90 | null | 16,443 | 4 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | I 41 c d | I 4bw -2c | 110 | - C23 H27 F O4 - | - C23 H27 F O4 - | - C736 H864 F32 O128 - | 32 | 2 | SK1446 | Bolte, Michael; Degen, Alexander; Rühl, Stephan | Packing considerations of bis-dimedone derivatives | Acta Crystallographica Section C | 2,001 | 57 | 4 | 446 | 451 | 10.1107/S0108270101001792 | 0.71073 | MoKα | 0.057 | 0.0433 | null | null | null | 0.0825 | null | null | null | null | null | 1.046 | null | null | has coordinates | Bolte, Michael; Degen, Alexander; Rühl, Stephan
Packing considerations of bis-dimedone derivatives
Acta Crystallographica Section C
57(4)
(2001)
446-451 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,011,907 | 14.892 | 0.001 | 11.813 | 0.001 | 13.351 | 0.001 | 90 | null | 115.78 | 0.01 | 90 | null | 2,114.9 | 0.3 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C23 H27 Cl O4 - | - C23 H27 Cl O4 - | - C92 H108 Cl4 O16 - | 4 | 1 | SK1446 | Bolte, Michael; Degen, Alexander; Rühl, Stephan | Packing considerations of bis-dimedone derivatives | Acta Crystallographica Section C | 2,001 | 57 | 4 | 446 | 451 | 10.1107/S0108270101001792 | 0.71073 | MoKα | 0.0656 | 0.0397 | null | null | null | 0.1007 | null | null | null | null | null | 1.007 | null | null | has coordinates,has Fobs | Bolte, Michael; Degen, Alexander; Rühl, Stephan
Packing considerations of bis-dimedone derivatives
Acta Crystallographica Section C
57(4)
(2001)
446-451 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,011,908 | 9.736 | 0.002 | 11.37 | 0.003 | 18.263 | 0.003 | 90 | null | 99.54 | 0.01 | 90 | null | 1,993.7 | 0.7 | 173 | 2 | 173 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C23 H28 O5 - | - C23 H28 O5 - | - C92 H112 O20 - | 4 | 1 | SK1446 | Bolte, Michael; Degen, Alexander; Rühl, Stephan | Packing considerations of bis-dimedone derivatives | Acta Crystallographica Section C | 2,001 | 57 | 4 | 446 | 451 | 10.1107/S0108270101001792 | 0.71073 | MoKα | 0.1784 | 0.0792 | null | null | null | 0.2257 | null | null | null | null | null | 1.223 | null | null | has coordinates,has Fobs | Bolte, Michael; Degen, Alexander; Rühl, Stephan
Packing considerations of bis-dimedone derivatives
Acta Crystallographica Section C
57(4)
(2001)
446-451 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/19/2011908.cif $
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2,011,909 | 9.339 | 0.001 | 11.638 | 0.001 | 20.052 | 0.001 | 90 | null | 102.65 | 0.01 | 90 | null | 2,126.5 | 0.3 | 173 | 2 | 173 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C24 H30 O4 - | - C24 H30 O4 - | - C96 H120 O16 - | 4 | 1 | SK1446 | Bolte, Michael; Degen, Alexander; Rühl, Stephan | Packing considerations of bis-dimedone derivatives | Acta Crystallographica Section C | 2,001 | 57 | 4 | 446 | 451 | 10.1107/S0108270101001792 | 0.71073 | MoKα | 0.0559 | 0.041 | null | null | null | 0.111 | null | null | null | null | null | 1.038 | null | null | has coordinates,has Fobs | Bolte, Michael; Degen, Alexander; Rühl, Stephan
Packing considerations of bis-dimedone derivatives
Acta Crystallographica Section C
57(4)
(2001)
446-451 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/19/2011909.cif $
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2,011,910 | 8.916 | 0.002 | 11.573 | 0.002 | 21.106 | 0.005 | 90 | null | 98.15 | 0.01 | 90 | null | 2,155.8 | 0.8 | 173 | 2 | 173 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C24 H30 O5 - | - C24 H30 O5 - | - C96 H120 O20 - | 4 | 1 | SK1446 | Bolte, Michael; Degen, Alexander; Rühl, Stephan | Packing considerations of bis-dimedone derivatives | Acta Crystallographica Section C | 2,001 | 57 | 4 | 446 | 451 | 10.1107/S0108270101001792 | 0.71073 | MoKα | 0.0809 | 0.046 | null | null | null | 0.1141 | null | null | null | null | null | 1 | null | null | has coordinates,has Fobs | Bolte, Michael; Degen, Alexander; Rühl, Stephan
Packing considerations of bis-dimedone derivatives
Acta Crystallographica Section C
57(4)
(2001)
446-451 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/19/2011910.cif $
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2,011,911 | 9.223 | 0.001 | 12.012 | 0.001 | 20.661 | 0.001 | 90 | null | 101.42 | 0.01 | 90 | null | 2,243.6 | 0.3 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C25 H33 N O4 - | - C25 H33 N O4 - | - C100 H132 N4 O16 - | 4 | 1 | SK1446 | Bolte, Michael; Degen, Alexander; Rühl, Stephan | Packing considerations of bis-dimedone derivatives | Acta Crystallographica Section C | 2,001 | 57 | 4 | 446 | 451 | 10.1107/S0108270101001792 | 0.71073 | MoKα | 0.0871 | 0.0557 | null | null | null | 0.1314 | null | null | null | null | null | 1.029 | null | null | has coordinates,has Fobs | Bolte, Michael; Degen, Alexander; Rühl, Stephan
Packing considerations of bis-dimedone derivatives
Acta Crystallographica Section C
57(4)
(2001)
446-451 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/19/2011911.cif $
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2,011,912 | 11.936 | 0.003 | 12.969 | 0.004 | 16.204 | 0.005 | 74.5 | 0.01 | 90.16 | 0.01 | 65.5 | 0.01 | 2,180.9 | 1.1 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C23 H26 Cl2 O4 - | - C23 H26 Cl2 O4 - | - C92 H104 Cl8 O16 - | 4 | 2 | SK1447 | Bolte, Michael; Degen, Alexander; Rühl, Stephan | Two diastereomers of 9-(2,6-dichlorophenyl)-4a-hydroxy-3,3,6,6-tetramethyl-1,2,3,4,4a,5,6,7,8,9a-decahydroxanthene-1,8-dione in the same crystal | Acta Crystallographica Section C | 2,001 | 57 | 4 | 444 | 445 | 10.1107/S0108270101000063 | 0.71073 | MoKα | 0.1534 | 0.0787 | null | null | null | 0.2414 | null | null | null | null | null | 0.916 | null | null | has coordinates,has Fobs | Bolte, Michael; Degen, Alexander; Rühl, Stephan
Two diastereomers of 9-(2,6-dichlorophenyl)-4a-hydroxy-3,3,6,6-tetramethyl-1,2,3,4,4a,5,6,7,8,9a-decahydroxanthene-1,8-dione in the same crystal
Acta Crystallographica Section C
57(4)
(2001)
444-445 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/19/2011912.cif $
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2,011,913 | 12.052 | 0.003 | 8.009 | 0.003 | 14.354 | 0.003 | 90 | null | 92.35 | 0.02 | 90 | null | 1,384.3 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | ethylhydroxamic acid | N-propionylhydroxylamine | - C3 H7 N O2 - | - C3 H7 N O2 - | - C36 H84 N12 O24 - | 12 | 3 | SK1449 | Ferguson, George; Glidewell, Christopher | <i>N</i>-Propionylhydroxylamine forms a three-dimensional hydrogen-bonded framework structure | Acta Crystallographica Section C | 2,001 | 57 | 4 | 452 | 454 | 10.1107/S0108270101000075 | 0.71073 | MoKα | 0.0504 | 0.0376 | null | null | null | 0.1138 | null | null | null | null | null | 1.02 | null | null | has coordinates | Ferguson, George; Glidewell, Christopher
<i>N</i>-Propionylhydroxylamine forms a three-dimensional hydrogen-bonded framework structure
Acta Crystallographica Section C
57(4)
(2001)
452-454 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/19/2011913.cif $
#-------------------------------------------------------------------... | |||||||||
2,011,914 | 10.4286 | 0.0005 | 12.1213 | 0.0012 | 14.6271 | 0.0018 | 90 | null | 90 | null | 90 | null | 1,849 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | dimethylglycinium trifluoroacetate | 1-Carboxy-N,N-dimethylmethanaminium trifluoroacetate | - C6 H10 F3 N O4 - | - C6 H10 F3 N O4 - | - C48 H80 F24 N8 O32 - | 8 | 1 | SK1450 | Rodrigues, V. H.; Paixão, J. A.; Costa, M. M. R. R.; Matos Beja, A. | Conformation of cationic <i>N</i>,<i>N</i>-dimethylglycine in dimethylglycinium trifluoroacetate | Acta Crystallographica Section C | 2,001 | 57 | 4 | 417 | 420 | 10.1107/S0108270101000087 | 0.71073 | MoKα | 0.052 | 0.037 | null | null | null | 0.105 | null | null | null | null | null | 1.038 | null | null | has coordinates,has Fobs | Rodrigues, V. H.; Paixão, J. A.; Costa, M. M. R. R.; Matos Beja, A.
Conformation of cationic <i>N</i>,<i>N</i>-dimethylglycine in dimethylglycinium trifluoroacetate
Acta Crystallographica Section C
57(4)
(2001)
417-420 | 201,957 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201957 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/19/2011914.cif $
#-------------------------------------------------------------------... | |||||||||
2,011,915 | 4.4772 | 0.0003 | 11.1379 | 0.0007 | 13.1891 | 0.0009 | 90 | null | 94.748 | 0.001 | 90 | null | 655.44 | 0.08 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 1,3-diamino-4 -nitrobenzene | - C6 H7 N3 O2 - | - C6 H7 N3 O2 - | - C24 H28 N12 O8 - | 4 | 1 | SK1454 | Glidewell, Christopher; Cannon, Debbie; Quesada, Antonio; Low, John N.; McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L. | Hydrogen bonding in substituted nitroanilines: isolated nets in 1,3-diamino-4-nitrobenzene and continuously interwoven nets in 3,5-dinitroaniline | Acta Crystallographica Section C | 2,001 | 57 | 4 | 455 | 458 | 10.1107/S0108270101001809 | 0.71073 | MoKα | 0.0918 | 0.0587 | null | null | null | 0.1925 | null | null | null | null | null | 1.037 | null | null | has coordinates | Glidewell, Christopher; Cannon, Debbie; Quesada, Antonio; Low, John N.; McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L.
Hydrogen bonding in substituted nitroanilines: isolated nets in 1,3-diamino-4-nitrobenzene and continuously interwoven nets in 3,5-dinitroaniline
Acta Crystallographica Section C
57(4)
(20... | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/19/2011915.cif $
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2,011,916 | 8.5377 | 0.0006 | 14.0119 | 0.0009 | 12.7071 | 0.0008 | 90 | null | 90.899 | 0.002 | 90 | null | 1,519.96 | 0.17 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 3,5-dinitroaniline | - C6 H5 N3 O4 - | - C6 H5 N3 O4 - | - C48 H40 N24 O32 - | 8 | 2 | SK1454 | Glidewell, Christopher; Cannon, Debbie; Quesada, Antonio; Low, John N.; McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L. | Hydrogen bonding in substituted nitroanilines: isolated nets in 1,3-diamino-4-nitrobenzene and continuously interwoven nets in 3,5-dinitroaniline | Acta Crystallographica Section C | 2,001 | 57 | 4 | 455 | 458 | 10.1107/S0108270101001809 | 0.71073 | MoKα | 0.1412 | 0.0464 | null | null | null | 0.1325 | null | null | null | null | null | 0.825 | null | null | has coordinates | Glidewell, Christopher; Cannon, Debbie; Quesada, Antonio; Low, John N.; McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L.
Hydrogen bonding in substituted nitroanilines: isolated nets in 1,3-diamino-4-nitrobenzene and continuously interwoven nets in 3,5-dinitroaniline
Acta Crystallographica Section C
57(4)
(20... | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/19/2011916.cif $
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2,011,917 | 20.674 | 0.007 | 7.653 | 0.002 | 19.211 | 0.006 | 90 | null | 116.939 | 0.004 | 90 | null | 2,709.7 | 1.4 | 168 | 2 | 168 | 2 | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | {N-[2-(η^5^-cyclopentadienyl)ethyl]-4-toluenesulfonamido-N,O} (tetrahydrofuran-O)bis(trifluoromethanesulfonato-O)titanium(II) | - C20 H23 F6 N O9 S3 Ti - | - C20 H23 F6 N O9 S3 Ti - | - C80 H92 F24 N4 O36 S12 Ti4 - | 4 | 1 | TA1308 | Lensink, Cornelis; Gainsford, Graeme J.; Baxter, Neville I. | {<i>N</i>-[2-(η^5^-Cyclopentadienyl)ethyl]-4-toluenesulfonamido-<i>N</i>,<i>O</i>}(tetrahydrofuran-<i>O</i>)bis(trifluoromethanesulfonato-<i>O</i>)titanium(II) | Acta Crystallographica Section C | 2,001 | 57 | 4 | 366 | 367 | 10.1107/S0108270100020515 | 0.71073 | MoKα | 0.088 | 0.044 | null | null | null | 0.12 | null | null | null | null | null | 0.964 | null | null | has coordinates,has Fobs | Lensink, Cornelis; Gainsford, Graeme J.; Baxter, Neville I.
{<i>N</i>-[2-(η^5^-Cyclopentadienyl)ethyl]-4-toluenesulfonamido-<i>N</i>,<i>O</i>}(tetrahydrofuran-<i>O</i>)bis(trifluoromethanesulfonato-<i>O</i>)titanium(II)
Acta Crystallographica Section C
57(4)
(2001)
366-367 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/19/2011917.cif $
#-------------------------------------------------------------------... | ||||||||||
2,011,918 | 11.551 | 0.004 | 15.068 | 0.005 | 15.218 | 0.005 | 90 | null | 93.233 | 0.005 | 90 | null | 2,644.5 | 1.5 | 173 | 2 | 173 | 2 | null | null | null | null | 8 | P 1 21/n 1 | -P 2yn | 14 | Bis(μ-{N-[η^5^-2-(cyclopentadienyl)ethyl]-p-toluenesulfonamido-N,O:O'}) bis[bis(trifluoromethanesulfonato-O)titanium(II)] bis(dichloromethane) solvate | - C34 H34 Cl4 F12 N2 O16 S6 Ti2 - | - C34 H34 Cl4 F12 N2 O16 S6 Ti2 - | - C68 H68 Cl8 F24 N4 O32 S12 Ti4 - | 2 | 0.5 | TA1309 | Lensink, Cornelis; Gainsford, Graeme J.; Baxter, Neville I. | Bis{μ-<i>N</i>-[2-(η^5^-cyclopentadienyl)ethyl]-4-toluenesulfonamido-<i>N</i>,<i>O</i>:<i>O</i>'}bis[bis(trifluoromethanesulfonato-<i>O</i>)titanium(II)] bis(dichloromethane) solvate | Acta Crystallographica Section C | 2,001 | 57 | 4 | 368 | 369 | 10.1107/S0108270100020527 | 0.71073 | MoKα | 0.126 | 0.056 | null | null | null | 0.139 | null | null | null | null | null | 1.053 | null | null | has coordinates,has disorder,has Fobs | Lensink, Cornelis; Gainsford, Graeme J.; Baxter, Neville I.
Bis{μ-<i>N</i>-[2-(η^5^-cyclopentadienyl)ethyl]-4-toluenesulfonamido-<i>N</i>,<i>O</i>:<i>O</i>'}bis[bis(trifluoromethanesulfonato-<i>O</i>)titanium(II)] bis(dichloromethane) solvate
Acta Crystallographica Section C
57(4)
(2001)
368-369 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/19/2011918.cif $
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2,011,919 | 5.007 | 0.001 | 17.676 | 0.003 | 6.523 | 0.001 | 90 | null | 100.4 | 0.02 | 90 | null | 567.83 | 0.18 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | L-prolinium tartrate | L-prolinium tartrate | - C9 H15 N O8 - | - C9 H15 N O8 - | - C18 H30 N2 O16 - | 2 | 1 | VJ1124 | Subha Nandhini, M.; Krishnakumar, R.V.; Natarajan, S. | <small>L</small>-Prolinium tartrate | Acta Crystallographica Section C | 2,001 | 57 | 4 | 423 | 424 | 10.1107/S0108270100020370 | 1.5418 | CuKα | 0.0276 | 0.0275 | null | null | null | 0.0736 | null | null | null | null | null | 1.035 | null | null | has coordinates,has disorder | Subha Nandhini, M.; Krishnakumar, R.V.; Natarajan, S.
<small>L</small>-Prolinium tartrate
Acta Crystallographica Section C
57(4)
(2001)
423-424 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/19/2011919.cif $
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2,011,920 | 30.992 | 0.007 | 8.613 | 0.004 | 6.721 | 0.007 | 90 | null | 90 | null | 90 | null | 1,794 | 2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P c a 21 | P 2c -2ac | 29 | Cyclohexylammonium (2-oxy-2'-hydroxy-biphenyl)phosphonate | - C18 H24 N O4 P - | - C18 H24 N O4 P - | - C72 H96 N4 O16 P4 - | 4 | 1 | VJ1128 | Kumara Swamy, K. C.; Said, Musa A. | Cyclohexylammonium 2'-hydroxy-2-biphenyl phosphonate | Acta Crystallographica Section C | 2,001 | 57 | 4 | 491 | 492 | 10.1107/S0108270101001184 | 0.71073 | MoKα | 0.0843 | 0.0543 | null | null | null | 0.1769 | null | null | null | null | null | 1.137 | null | null | has coordinates,has Fobs | Kumara Swamy, K. C.; Said, Musa A.
Cyclohexylammonium 2'-hydroxy-2-biphenyl phosphonate
Acta Crystallographica Section C
57(4)
(2001)
491-492 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/19/2011920.cif $
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2,011,921 | 22.939 | 0.001 | 6.574 | 0.002 | 16.481 | 0.002 | 90 | null | 114.67 | 0.01 | 90 | null | 2,258.5 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | C 1 2 1 | C 2y | 5 | Tricoccin R2 | - C25 H26 O7 - | - C25 H26 O7 - | - C100 H104 O28 - | 4 | 1 | VJ1131 | Abdul Ajees, A.; Sekar, K.; Parthasarathy, S.; Schenk, H.; Epe, B.; Mondon, A. | Tricoccin R2. Erratum | Acta Crystallographica Section C | 2,001 | 57 | 4 | 499 | 499 | 10.1107/S010827010002045X | 1.5418 | CuKα | 0.0401 | 0.0364 | null | null | null | 0.1034 | null | null | null | null | null | 1.067 | null | null | has coordinates,has Fobs | Abdul Ajees, A.; Sekar, K.; Parthasarathy, S.; Schenk, H.; Epe, B.; Mondon, A.
Tricoccin R2. Erratum
Acta Crystallographica Section C
57(4)
(2001)
499-499 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/19/2011921.cif $
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2,011,922 | 10.292 | 0.002 | 5.741 | 0.001 | 23.474 | 0.004 | 90 | null | 95.05 | 0.01 | 90 | null | 1,381.6 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | 7-chloro-1-(2,6-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole | - C15 H9 Cl F2 N2 S - | - C15 H9 Cl F2 N2 S - | - C60 H36 Cl4 F8 N8 S4 - | 4 | 1 | AV1059 | Nicoló, Francesco; Bruno, Giuseppe; Scopelliti, Rosario; Grasso, Silvana; Rao, Angela; Zappalá, Maria | 7-Chloro-1-(2,6-difluorophenyl)-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole and 1-(2,6-difluorophenyl)-6-methyl-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole | Acta Crystallographica Section C | 2,001 | 57 | 5 | 572 | 574 | 10.1107/S0108270101001421 | 0.71073 | MoKα | 0.0399 | 0.0314 | null | null | null | 0.0891 | null | null | null | null | null | 1.066 | null | null | has coordinates,has Fobs | Nicoló, Francesco; Bruno, Giuseppe; Scopelliti, Rosario; Grasso, Silvana; Rao, Angela; Zappalá, Maria
7-Chloro-1-(2,6-difluorophenyl)-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole and 1-(2,6-difluorophenyl)-6-methyl-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole
Acta Crystallographica Section C
57(5)... | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/19/2011922.cif $
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2,011,923 | 7.616 | 0.001 | 10.202 | 0.003 | 10.868 | 0.002 | 108.86 | 0.02 | 106.96 | 0.01 | 105.46 | 0.02 | 701 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 1-(2,6-Difluorophenyl)-6-methyl-1H,3H-thiazolo[3,4-a]benzimidazole | - C16 H12 F2 N2 S - | - C16 H12 F2 N2 S - | - C32 H24 F4 N4 S2 - | 2 | 1 | AV1059 | Nicoló, Francesco; Bruno, Giuseppe; Scopelliti, Rosario; Grasso, Silvana; Rao, Angela; Zappalá, Maria | 7-Chloro-1-(2,6-difluorophenyl)-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole and 1-(2,6-difluorophenyl)-6-methyl-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole | Acta Crystallographica Section C | 2,001 | 57 | 5 | 572 | 574 | 10.1107/S0108270101001421 | 0.71073 | MoKα | 0.0459 | 0.0302 | null | null | null | 0.0729 | null | null | null | null | null | 0.916 | null | null | has coordinates | Nicoló, Francesco; Bruno, Giuseppe; Scopelliti, Rosario; Grasso, Silvana; Rao, Angela; Zappalá, Maria
7-Chloro-1-(2,6-difluorophenyl)-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole and 1-(2,6-difluorophenyl)-6-methyl-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole
Acta Crystallographica Section C
57(5)... | 191,031 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-27 16:32:39 +0200 (Fri, 27 Jan 2017) $
#$Revision: 191031 $
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2,011,924 | 9.9302 | 0.0008 | 7.9433 | 0.0009 | 7.1288 | 0.0008 | 98.31 | 0.01 | 110.58 | 0.01 | 75.108 | 0.009 | 507.83 | 0.1 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | nitrocarbamimidoyl azide | - C H2 N6 O2 - | - C H2 N6 O2 - | - C4 H8 N24 O8 - | 4 | 2 | AV1067 | Vasiliev, Alexander D.; Astachov, Alexander M.; Nefedov, Andrey A.; Kruglyakova, Ludmila A.; Stepanov, Rudolf S. | Nitroguanyl azide | Acta Crystallographica Section C | 2,001 | 57 | 5 | 625 | 626 | 10.1107/S0108270101002827 | 1.5418 | CuKα | 0.036 | 0.0339 | null | null | null | 0.0951 | null | null | null | null | null | 1.087 | null | null | has coordinates,has Fobs | Vasiliev, Alexander D.; Astachov, Alexander M.; Nefedov, Andrey A.; Kruglyakova, Ludmila A.; Stepanov, Rudolf S.
Nitroguanyl azide
Acta Crystallographica Section C
57(5)
(2001)
625-626 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,011,925 | 7.333 | 0.003 | 9.389 | 0.004 | 17.161 | 0.007 | 90 | null | 95.05 | 0.04 | 90 | null | 1,176.9 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 4-hydroxy-7-methoxy-2-methyl-5H-1-benzopyrano[4,3-b]pyridin-5-one | - C14 H11 N O4 - | - C14 H11 N O4 - | - C56 H44 N4 O16 - | 4 | 1 | AV1068 | Kettmann, Viktor; Světlík, Jan; Kratky, Christoph | 4-Hydroxy-7-methoxy-2-methyl-5<i>H</i>-1-benzopyrano[4,3-<i>b</i>]pyridin-5-one | Acta Crystallographica Section C | 2,001 | 57 | 5 | 590 | 592 | 10.1107/S0108270101002360 | 0.71073 | MoKα | 0.101 | 0.054 | null | 0.185 | null | 0.15 | null | null | null | null | null | 1.022 | null | null | has coordinates,has Fobs | Kettmann, Viktor; Světlík, Jan; Kratky, Christoph
4-Hydroxy-7-methoxy-2-methyl-5<i>H</i>-1-benzopyrano[4,3-<i>b</i>]pyridin-5-one
Acta Crystallographica Section C
57(5)
(2001)
590-592 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/19/2011925.cif $
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2,011,926 | 15.6 | 0.004 | 20.764 | 0.006 | 5.826 | 0.003 | 90 | null | 90 | null | 90 | null | 1,887.1 | 1.2 | 173 | 2 | 173 | 2 | null | null | null | null | 6 | P 21 21 2 | P 2 2ab | 18 | (2S)-N-[5-(4-chlorophenyl)-2,3-dihydro-6H-1,3,4-thiadiazin-2-ylidene]-2- (phenylsulfonyl)amino]propanamide | - C18 H17 Cl N4 O3 S2 - | - C18 H17 Cl N4 O3 S2 - | - C72 H68 Cl4 N16 O12 S8 - | 4 | 1 | AV1070 | Schröder, Jörg; Wenzel, Herbert; Stammler, Hans-Georg; Stammler, Anja; Neumann, Beate; Tschesche, Harald | Novel heterocyclic inhibitors of matrix metalloproteinases: three 6<i>H</i>-1,3,4-thiadiazines | Acta Crystallographica Section C | 2,001 | 57 | 5 | 593 | 596 | 10.1107/S0108270101002372 | 0.71073 | MoKα | 0.074 | 0.051 | null | null | null | 0.123 | null | null | null | null | null | 1.02 | null | null | has coordinates,has Fobs | Schröder, Jörg; Wenzel, Herbert; Stammler, Hans-Georg; Stammler, Anja; Neumann, Beate; Tschesche, Harald
Novel heterocyclic inhibitors of matrix metalloproteinases: three 6<i>H</i>-1,3,4-thiadiazines
Acta Crystallographica Section C
57(5)
(2001)
593-596 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,011,927 | 9.675 | 0.019 | 12.704 | 0.019 | 15.606 | 0.015 | 90 | null | 90 | null | 90 | null | 1,918 | 5 | 173 | 2 | 173 | 2 | null | null | null | null | 6 | P 21 21 21 | P 2ac 2ab | 19 | (2R)-N-[5-(4-fluoro-phenyl)-6H-1,3,4-thiadiazin-2-yl]-2- [(phenylsulfonyl)amino]propanamide | - C18 H17 F N4 O3 S2 - | - C18 H17 F N4 O3 S2 - | - C72 H68 F4 N16 O12 S8 - | 4 | 1 | AV1070 | Schröder, Jörg; Wenzel, Herbert; Stammler, Hans-Georg; Stammler, Anja; Neumann, Beate; Tschesche, Harald | Novel heterocyclic inhibitors of matrix metalloproteinases: three 6<i>H</i>-1,3,4-thiadiazines | Acta Crystallographica Section C | 2,001 | 57 | 5 | 593 | 596 | 10.1107/S0108270101002372 | 0.71073 | MoKα | 0.06 | 0.049 | null | null | null | 0.128 | null | null | null | null | null | 1.011 | null | null | has coordinates,has Fobs | Schröder, Jörg; Wenzel, Herbert; Stammler, Hans-Georg; Stammler, Anja; Neumann, Beate; Tschesche, Harald
Novel heterocyclic inhibitors of matrix metalloproteinases: three 6<i>H</i>-1,3,4-thiadiazines
Acta Crystallographica Section C
57(5)
(2001)
593-596 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/19/2011927.cif $
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2,011,928 | 10.613 | 0.004 | 11.193 | 0.004 | 16.399 | 0.005 | 90 | null | 102.48 | 0.03 | 90 | null | 1,902 | 1.2 | 173 | 2 | 173 | 2 | null | null | null | null | 6 | P 1 21 1 | P 2yb | 4 | (2S)-N-[5-(5-chloro-2-thienyl)-6H-1,3,4-thiadiazin-2-yl]-2- [(phenylsulfonyl)amino]propanamide | - C16 H15 Cl N4 O3 S3 - | - C16 H15 Cl N4 O3 S3 - | - C64 H60 Cl4 N16 O12 S12 - | 4 | 2 | AV1070 | Schröder, Jörg; Wenzel, Herbert; Stammler, Hans-Georg; Stammler, Anja; Neumann, Beate; Tschesche, Harald | Novel heterocyclic inhibitors of matrix metalloproteinases: three 6<i>H</i>-1,3,4-thiadiazines | Acta Crystallographica Section C | 2,001 | 57 | 5 | 593 | 596 | 10.1107/S0108270101002372 | 0.71073 | MoKα | 0.107 | 0.061 | null | null | null | 0.125 | null | null | null | null | null | 1.016 | null | null | has coordinates,has Fobs | Schröder, Jörg; Wenzel, Herbert; Stammler, Hans-Georg; Stammler, Anja; Neumann, Beate; Tschesche, Harald
Novel heterocyclic inhibitors of matrix metalloproteinases: three 6<i>H</i>-1,3,4-thiadiazines
Acta Crystallographica Section C
57(5)
(2001)
593-596 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/19/2011928.cif $
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2,011,929 | 7.7492 | 0.0002 | 10.447 | 0.0003 | 14.3852 | 0.0003 | 90 | null | 100.81 | 0.001 | 90 | null | 1,143.9 | 0.05 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | O-ethyl N-(2,3,4,6-tetra-O-acetyl-β-d-glucopyranosyl)carbamothiate | - C17 H25 N O10 S - | - C17 H25 N O10 S - | - C34 H50 N2 O20 S2 - | 2 | 1 | BJ1013 | Zhang, Shusheng; Wang, Zhongwei; Li, Ming; Jiao, Kui; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun | <i>O</i>-Ethyl and <i>O</i>-methyl <i>N</i>-(2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranosyl)thiocarbamate | Acta Crystallographica Section C | 2,001 | 57 | 5 | 566 | 568 | 10.1107/S0108270101000609 | 0.71073 | MoKα | 0.096 | 0.062 | null | null | null | 0.168 | null | null | null | null | null | 0.88 | null | null | has coordinates,has disorder,has Fobs | Zhang, Shusheng; Wang, Zhongwei; Li, Ming; Jiao, Kui; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun
<i>O</i>-Ethyl and <i>O</i>-methyl <i>N</i>-(2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranosyl)thiocarbamate
Acta Crystallographica Section C
57(5)
(2001)
566-568 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/19/2011929.cif $
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2,011,930 | 7.3543 | 0.0002 | 10.2555 | 0.0001 | 14.0142 | 0.0004 | 90 | null | 100.684 | 0.002 | 90 | null | 1,038.66 | 0.04 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | O-methyl N-(2,3,4,6-tetra-O-acetyl-β-d-glucopyranosyl)carbamothiate | - C16 H23 N O10 S - | - C16 H23 N O10 S - | - C32 H46 N2 O20 S2 - | 2 | 1 | BJ1013 | Zhang, Shusheng; Wang, Zhongwei; Li, Ming; Jiao, Kui; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun | <i>O</i>-Ethyl and <i>O</i>-methyl <i>N</i>-(2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranosyl)thiocarbamate | Acta Crystallographica Section C | 2,001 | 57 | 5 | 566 | 568 | 10.1107/S0108270101000609 | 0.71073 | MoKα | 0.126 | 0.072 | null | null | null | 0.184 | null | null | null | null | null | 0.86 | null | null | has coordinates,has Fobs | Zhang, Shusheng; Wang, Zhongwei; Li, Ming; Jiao, Kui; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun
<i>O</i>-Ethyl and <i>O</i>-methyl <i>N</i>-(2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranosyl)thiocarbamate
Acta Crystallographica Section C
57(5)
(2001)
566-568 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/19/2011930.cif $
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2,011,931 | 7.197 | 0.004 | 47.756 | 0.002 | 5.076 | 0.003 | 90 | null | 90 | null | 90 | null | 1,744.6 | 1.4 | 296.2 | null | 296.2 | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 1,17-Heptadecanediol | - C17 H36 O2 - | - C17 H36 O2 - | - C68 H144 O8 - | 4 | 1 | BJ1023 | Nakamura, Naotake; Uno, Kenjiro; Ogawa, Yoshihiro | 1,17-Heptadecanediol | Acta Crystallographica Section C | 2,001 | 57 | 5 | 585 | 586 | 10.1107/S010827010100213X | 1.5418 | CuKα | 0.0689 | 0.0435 | null | 0.0615 | null | 0.0541 | null | null | 1.362 | null | null | 1.459 | null | null | has coordinates | Nakamura, Naotake; Uno, Kenjiro; Ogawa, Yoshihiro
1,17-Heptadecanediol
Acta Crystallographica Section C
57(5)
(2001)
585-586 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,011,932 | 9.968 | 0.003 | 9.909 | 0.004 | 4.068 | 0.002 | 103.06 | 0.04 | 103.51 | 0.04 | 98.15 | 0.03 | 372.5 | 0.3 | 295 | null | 295 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C5 H7 K O5 - | - C5 H7 K O5 - | - C10 H14 K2 O10 - | 2 | 1 | BJ1024 | Kashino, Setsuo; Taka, Jun-ichiro; Fukunaga, Takeo; Ishida, Hiroyuki | Potassium hydrogen <i>trans</i>-glutaconate monohydrate at 295, 245 and 40K, and its rubidium analogue at 298K | Acta Crystallographica Section C | 2,001 | 57 | 5 | 549 | 552 | 10.1107/S0108270101003237 | 0.71073 | MoKα | 0.045 | 0.043 | null | 0.052 | null | 0.051 | null | null | 1.7 | null | null | 1.74 | null | null | has coordinates | Kashino, Setsuo; Taka, Jun-ichiro; Fukunaga, Takeo; Ishida, Hiroyuki
Potassium hydrogen <i>trans</i>-glutaconate monohydrate at 295, 245 and 40K, and its rubidium analogue at 298K
Acta Crystallographica Section C
57(5)
(2001)
549-552 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,011,933 | 9.944 | 0.002 | 9.885 | 0.002 | 4.0314 | 0.0008 | 103.22 | 0.02 | 103.08 | 0.02 | 98.44 | 0.02 | 367.43 | 0.14 | 245 | null | 245 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C5 H7 K O5 - | - C5 H7 K O5 - | - C10 H14 K2 O10 - | 2 | 1 | BJ1024 | Kashino, Setsuo; Taka, Jun-ichiro; Fukunaga, Takeo; Ishida, Hiroyuki | Potassium hydrogen <i>trans</i>-glutaconate monohydrate at 295, 245 and 40K, and its rubidium analogue at 298K | Acta Crystallographica Section C | 2,001 | 57 | 5 | 549 | 552 | 10.1107/S0108270101003237 | 0.71073 | MoKα | null | 0.094 | null | null | null | 0.107 | null | null | null | null | null | 2.14 | null | null | has coordinates | Kashino, Setsuo; Taka, Jun-ichiro; Fukunaga, Takeo; Ishida, Hiroyuki
Potassium hydrogen <i>trans</i>-glutaconate monohydrate at 295, 245 and 40K, and its rubidium analogue at 298K
Acta Crystallographica Section C
57(5)
(2001)
549-552 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,011,934 | 9.927 | 0.002 | 9.866 | 0.002 | 4.0015 | 0.0008 | 103.4 | 0.01 | 102.77 | 0.02 | 98.73 | 0.02 | 363.2 | 0.14 | 40 | null | 40 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C5 H7 K O5 - | - C5 H7 K O5 - | - C10 H14 K2 O10 - | 2 | 1 | BJ1024 | Kashino, Setsuo; Taka, Jun-ichiro; Fukunaga, Takeo; Ishida, Hiroyuki | Potassium hydrogen <i>trans</i>-glutaconate monohydrate at 295, 245 and 40K, and its rubidium analogue at 298K | Acta Crystallographica Section C | 2,001 | 57 | 5 | 549 | 552 | 10.1107/S0108270101003237 | 0.71073 | MoKα | null | 0.069 | null | null | null | 0.085 | null | null | null | null | null | 2.01 | null | null | has coordinates | Kashino, Setsuo; Taka, Jun-ichiro; Fukunaga, Takeo; Ishida, Hiroyuki
Potassium hydrogen <i>trans</i>-glutaconate monohydrate at 295, 245 and 40K, and its rubidium analogue at 298K
Acta Crystallographica Section C
57(5)
(2001)
549-552 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,011,935 | 10.015 | 0.005 | 9.988 | 0.004 | 4.2432 | 0.0015 | 101.5 | 0.03 | 104.41 | 0.03 | 97.29 | 0.03 | 395.8 | 0.3 | 298 | null | 298 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C5 H7 O5 Rb - | - C5 H6 O5 Rb - | - C10 H12 O10 Rb2 - | 2 | 1 | BJ1024 | Kashino, Setsuo; Taka, Jun-ichiro; Fukunaga, Takeo; Ishida, Hiroyuki | Potassium hydrogen <i>trans</i>-glutaconate monohydrate at 295, 245 and 40K, and its rubidium analogue at 298K | Acta Crystallographica Section C | 2,001 | 57 | 5 | 549 | 552 | 10.1107/S0108270101003237 | 0.71073 | MoKα | 0.057 | 0.054 | null | 0.052 | null | 0.052 | null | null | 1.567 | null | null | 1.59 | null | null | has coordinates | Kashino, Setsuo; Taka, Jun-ichiro; Fukunaga, Takeo; Ishida, Hiroyuki
Potassium hydrogen <i>trans</i>-glutaconate monohydrate at 295, 245 and 40K, and its rubidium analogue at 298K
Acta Crystallographica Section C
57(5)
(2001)
549-552 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,011,936 | 9.162 | 0.003 | 9.898 | 0.003 | 3.7672 | 0.0017 | 98.86 | 0.04 | 97.66 | 0.03 | 109.61 | 0.03 | 311.6 | 0.2 | 298 | null | 298 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C12 H12 N2 O6 - | - C12 H12 N2 O6 - | - C12 H12 N2 O6 - | 1 | 0.5 | BK1582 | Kashino, Setsuo; Fukunaga, Takeo; Izutsu, Hironobu; Miyashita, Shiho | Hydrogen-bonded complexes of 2-pyridone with centrosymmetric and non-centrosymmetric dicarboxylic acids | Acta Crystallographica Section C | 2,001 | 57 | 5 | 627 | 631 | 10.1107/S0108270101002839 | 0.71073 | MoKα | 0.06 | 0.059 | null | 0.1 | null | 0.098 | null | null | 1.96 | null | null | 1.98 | null | null | has coordinates | Kashino, Setsuo; Fukunaga, Takeo; Izutsu, Hironobu; Miyashita, Shiho
Hydrogen-bonded complexes of 2-pyridone with centrosymmetric and non-centrosymmetric dicarboxylic acids
Acta Crystallographica Section C
57(5)
(2001)
627-631 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,011,937 | 9.824 | 0.003 | 5.572 | 0.0017 | 15.556 | 0.005 | 90 | null | 101.31 | 0.03 | 90 | null | 835 | 0.5 | 298 | null | 298 | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C16 H18 N2 O6 - | - C16 H18 N2 O6 - | - C32 H36 N4 O12 - | 2 | 0.5 | BK1582 | Kashino, Setsuo; Fukunaga, Takeo; Izutsu, Hironobu; Miyashita, Shiho | Hydrogen-bonded complexes of 2-pyridone with centrosymmetric and non-centrosymmetric dicarboxylic acids | Acta Crystallographica Section C | 2,001 | 57 | 5 | 627 | 631 | 10.1107/S0108270101002839 | 0.71073 | MoKα | 0.06 | 0.059 | null | 0.106 | null | 0.102 | null | null | 1.89 | null | null | 1.93 | null | null | has coordinates,has Fobs | Kashino, Setsuo; Fukunaga, Takeo; Izutsu, Hironobu; Miyashita, Shiho
Hydrogen-bonded complexes of 2-pyridone with centrosymmetric and non-centrosymmetric dicarboxylic acids
Acta Crystallographica Section C
57(5)
(2001)
627-631 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,011,938 | 7.889 | 0.003 | 16.839 | 0.01 | 8.288 | 0.002 | 90 | null | 100.49 | 0.03 | 90 | null | 1,082.6 | 0.8 | 298 | null | 298 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C10 H11 N O5 - | - C10 H11 N O5 - | - C40 H44 N4 O20 - | 4 | 1 | BK1582 | Kashino, Setsuo; Fukunaga, Takeo; Izutsu, Hironobu; Miyashita, Shiho | Hydrogen-bonded complexes of 2-pyridone with centrosymmetric and non-centrosymmetric dicarboxylic acids | Acta Crystallographica Section C | 2,001 | 57 | 5 | 627 | 631 | 10.1107/S0108270101002839 | 0.71073 | MoKα | 0.082 | 0.079 | null | 0.096 | null | 0.088 | null | null | 1.47 | null | null | 1.46 | null | null | has coordinates,has Fobs | Kashino, Setsuo; Fukunaga, Takeo; Izutsu, Hironobu; Miyashita, Shiho
Hydrogen-bonded complexes of 2-pyridone with centrosymmetric and non-centrosymmetric dicarboxylic acids
Acta Crystallographica Section C
57(5)
(2001)
627-631 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,011,939 | 8.528 | 0.005 | 20.668 | 0.008 | 6.5438 | 0.0015 | 90 | null | 90 | null | 90 | null | 1,153.4 | 0.9 | 295 | null | 295 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C9 H13 N O8 - | - C9 H13 N O8 - | - C36 H52 N4 O32 - | 4 | 1 | BK1582 | Kashino, Setsuo; Fukunaga, Takeo; Izutsu, Hironobu; Miyashita, Shiho | Hydrogen-bonded complexes of 2-pyridone with centrosymmetric and non-centrosymmetric dicarboxylic acids | Acta Crystallographica Section C | 2,001 | 57 | 5 | 627 | 631 | 10.1107/S0108270101002839 | 0.71073 | MoKα | 0.047 | 0.044 | null | 0.046 | null | 0.044 | null | null | 1.8 | null | null | 1.81 | null | null | has coordinates,has Fobs | Kashino, Setsuo; Fukunaga, Takeo; Izutsu, Hironobu; Miyashita, Shiho
Hydrogen-bonded complexes of 2-pyridone with centrosymmetric and non-centrosymmetric dicarboxylic acids
Acta Crystallographica Section C
57(5)
(2001)
627-631 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,011,940 | 17.624 | 0.005 | 27.665 | 0.005 | 10.428 | 0.003 | 90 | null | 94.52 | 0.02 | 90 | null | 5,069 | 2 | 296.2 | null | null | null | null | null | null | null | 6 | P 1 21/a 1 | -P 2yab | 14 | - C27 H21 Cl3 N2 P Re - | - C27 H21 Cl3 N2 P Re - | - C216 H168 Cl24 N16 P8 Re8 - | 8 | 2 | BK1586 | Miyashita, Yoshitaro; Mahboob, Nagina; Tsuboi, Satoko; Yamada, Yasunori; Fujisawa, Kiyoshi; Okamoto, Ken-ichi | <i>fac</i>-Trichloro(quinolin-8-ylimido-<i>N</i>,<i>N</i>')(triphenylphosphine-<i>P</i>)rhenium(V) | Acta Crystallographica Section C | 2,001 | 57 | 5 | 558 | 559 | 10.1107/S0108270101003535 | 0.7107 | MoKα | null | 0.0483 | null | null | null | 0.1265 | null | null | null | null | null | 0.973 | null | null | has coordinates,has Fobs | Miyashita, Yoshitaro; Mahboob, Nagina; Tsuboi, Satoko; Yamada, Yasunori; Fujisawa, Kiyoshi; Okamoto, Ken-ichi
<i>fac</i>-Trichloro(quinolin-8-ylimido-<i>N</i>,<i>N</i>')(triphenylphosphine-<i>P</i>)rhenium(V)
Acta Crystallographica Section C
57(5)
(2001)
558-559 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,011,941 | 9.7467 | 0.0012 | 14.2911 | 0.0018 | 9.2122 | 0.0011 | 94.091 | 0.011 | 95.769 | 0.011 | 70.809 | 0.009 | 1,204.7 | 0.3 | 296 | 2 | 296 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | 5,7-dimethyl-1,2-diphenyl-6-(4,5-benzo-1,3-dithiol-2-ylidene)- C~1~-homobasketane | 5,7-dimethyl-1,2-diphenyl-6-(1,3-benzodithiol-2-ylidene) pentacyclo[5.4.0.0^2,5^.0^3,11^.0^4,8^]undecane | - C32 H28 S2 - | - C32 H28 S2 - | - C64 H56 S4 - | 2 | 1 | BK1587 | Tomura, Masaaki; Yamashita, Yoshiro | A molecule with a <i>C</i>~1~-homobasketane framework | Acta Crystallographica Section C | 2,001 | 57 | 5 | 619 | 620 | 10.1107/S0108270101002761 | 0.71069 | MoKα | 0.117 | 0.042 | null | null | null | 0.122 | null | null | null | null | null | 0.998 | null | null | has coordinates,has Fobs | Tomura, Masaaki; Yamashita, Yoshiro
A molecule with a <i>C</i>~1~-homobasketane framework
Acta Crystallographica Section C
57(5)
(2001)
619-620 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,011,942 | 10.579 | 0.002 | 12.104 | 0.002 | 7.003 | 0.002 | 90 | null | 102.26 | 0.03 | 90 | null | 876.3 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Hydronium-5-amino-uracil-6-sulphonate hydrate | - C4 H9 N3 O7 S - | - C4 H9 N3 O7 S - | - C16 H36 N12 O28 S4 - | 4 | 1 | BM1438 | Mazumder, G.; De, M.; Mazumder, S.K.; Mukhopadhyay, A. | Oxonium 5-aminouracil-6-sulfonate hydrate | Acta Crystallographica Section C | 2,001 | 57 | 5 | 562 | 563 | 10.1107/S010827010001742X | 1.5418 | CuKα | 0.0532 | 0.0517 | null | null | null | 0.1385 | null | null | null | null | null | 0.922 | null | null | has coordinates,has Fobs | Mazumder, G.; De, M.; Mazumder, S.K.; Mukhopadhyay, A.
Oxonium 5-aminouracil-6-sulfonate hydrate
Acta Crystallographica Section C
57(5)
(2001)
562-563 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,011,943 | 8.147 | 0.0016 | 8.412 | 0.0017 | 11.149 | 0.002 | 98.46 | 0.03 | 108.69 | 0.03 | 96.93 | 0.03 | 704.3 | 0.3 | 298 | 2 | 298 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 5-acetyl-2-amino-6-methyl-4-(3-nitrophenyl)-4H-pyran-3-carbonitrile | - C15 H13 N3 O4 - | - C15 H13 N3 O4 - | - C30 H26 N6 O8 - | 2 | 1 | BM1442 | Vladimir N. Nesterov; Elena A. Viltchinskaia | 5-Acetyl-2-amino-6-methyl-4-(3-nitrophenyl)-4<i>H</i>-pyran-3-carbonitrile and 2-amino-5-ethoxycarbonyl-6-methyl-4-(3-nitrophenyl)-4<i>H</i>-pyrano-3-carbonitrile | Acta Crystallographica Section C | 2,001 | 57 | 5 | 616 | 618 | 10.1107/S0108270101002682 | 0.71073 | MoKα | 0.1083 | 0.0552 | null | null | null | 0.1687 | null | null | null | null | null | 1.024 | null | null | has coordinates,has Fobs | Vladimir N. Nesterov; Elena A. Viltchinskaia
5-Acetyl-2-amino-6-methyl-4-(3-nitrophenyl)-4<i>H</i>-pyran-3-carbonitrile and 2-amino-5-ethoxycarbonyl-6-methyl-4-(3-nitrophenyl)-4<i>H</i>-pyrano-3-carbonitrile
Acta Crystallographica Section C
57(5)
(2001)
616-618 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/19/2011943.cif $
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2,011,944 | 8.455 | 0.001 | 8.475 | 0.001 | 12.073 | 0.002 | 83.05 | 0.02 | 71.33 | 0.02 | 76.35 | 0.02 | 795.5 | 0.2 | 298 | 2 | 298 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | ethyl 6-amino-5-cyano-2-methyl-4-(3-nitrophenyl)-4H-pyrano-3-carboxylate | - C16 H15 N3 O5 - | - C16 H15 N3 O5 - | - C32 H30 N6 O10 - | 2 | 1 | BM1442 | Vladimir N. Nesterov; Elena A. Viltchinskaia | 5-Acetyl-2-amino-6-methyl-4-(3-nitrophenyl)-4<i>H</i>-pyran-3-carbonitrile and 2-amino-5-ethoxycarbonyl-6-methyl-4-(3-nitrophenyl)-4<i>H</i>-pyrano-3-carbonitrile | Acta Crystallographica Section C | 2,001 | 57 | 5 | 616 | 618 | 10.1107/S0108270101002682 | 0.71073 | MoKα | 0.1126 | 0.0579 | null | null | null | 0.1537 | null | null | null | null | null | 1.028 | null | null | has coordinates,has Fobs | Vladimir N. Nesterov; Elena A. Viltchinskaia
5-Acetyl-2-amino-6-methyl-4-(3-nitrophenyl)-4<i>H</i>-pyran-3-carbonitrile and 2-amino-5-ethoxycarbonyl-6-methyl-4-(3-nitrophenyl)-4<i>H</i>-pyrano-3-carbonitrile
Acta Crystallographica Section C
57(5)
(2001)
616-618 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,011,945 | 18.97 | 0.004 | 18.97 | 0.004 | 12.414 | 0.005 | 90 | null | 90 | null | 120 | null | 3,868.8 | 1.9 | 294 | null | null | null | null | null | null | null | 5 | P 62 2 2 | P 62 2 (0 0 4) | 180 | - B H32 K5 O56 W12 - | - B K2 O54 W12 - | - B3 K6 O162 W36 - | 3 | 0.25 | BR1308 | Fletcher, Heath; Allen, Christine C.; Burns, Robert C.; Craig, Donald C. | Pentapotassium dodecatungstoborate(III) hexadecahydrate | Acta Crystallographica Section C | 2,001 | 57 | 5 | 505 | 507 | 10.1107/S0108270101002840 | 0.71073 | MoKα | null | 0.036 | null | null | null | 0.048 | null | null | null | null | null | 1.54 | null | null | has coordinates | Fletcher, Heath; Allen, Christine C.; Burns, Robert C.; Craig, Donald C.
Pentapotassium dodecatungstoborate(III) hexadecahydrate
Acta Crystallographica Section C
57(5)
(2001)
505-507 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
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2,011,946 | 13.097 | 0.0009 | 6.531 | 0.0005 | 10.6873 | 0.0006 | 90 | null | 90 | null | 90 | null | 914.15 | 0.11 | 293 | null | 293 | null | null | null | null | null | 5 | P n a n | -P 2n 2bc | 52 | - Ge0.32 K O5 Sb Si0.68 - | - Ge0.324 K0.999 O5 Sb Si0.675 - | - Ge2.592 K7.992 O40 Sb8 Si5.4 - | 8 | 1 | BR1312 | Norberg, Stefan T.; Svensson, Göran; Albertsson, Jörgen | KSbO(Ge~0.32~Si~0.68~)O~4~, a KTP isomorph | Acta Crystallographica Section C | 2,001 | 57 | 5 | 510 | 512 | 10.1107/S0108270101003547 | 0.71073 | MoKα | 0.123 | 0.046 | null | 0.168 | null | 0.168 | null | null | 1 | null | null | 1 | null | null | has coordinates,has Fobs | Norberg, Stefan T.; Svensson, Göran; Albertsson, Jörgen
KSbO(Ge~0.32~Si~0.68~)O~4~, a KTP isomorph
Acta Crystallographica Section C
57(5)
(2001)
510-512 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/19/2011946.cif $
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2,011,947 | 28.6498 | 0.0004 | 10.67 | 0.0002 | 18.2997 | 0.0004 | 90 | null | 121.524 | 0.001 | 90 | null | 4,768.53 | 0.16 | 180 | 2 | 180 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | [8-(5-iodo-n-hexyl)-5-(pentahapto-pentamethylcyclopentadienyl)- arachno-3-rhoda-7,8-dithia-arachno-undecaborane] | - C15 H34 B8 I Rh S2 - | - C15 H34 B8 I Rh S2 - | - C120 H272 B64 I8 Rh8 S16 - | 8 | 1 | BR1313 | Macías, Ramón; Barrett, Simon A; Bould, Jonathan; Dörfler, Udo; Holub, Josef; Kennedy, John D.; Thornton-Pett, Mark; Bohumil Štíbr | Ten-vertex rhodadithiaborane chemistry: [8-{I(CH~2~)~5~}-3-(η^5^-C~5~Me~5~)-<i>arachno</i>-3,7,8-RhS~2~B~8~H~9~] | Acta Crystallographica Section C | 2,001 | 57 | 5 | 520 | 522 | 10.1107/S010827010100244X | 0.71069 | MoKα | 0.0615 | 0.0578 | null | null | null | 0.1622 | null | null | null | null | null | 1.094 | null | null | has coordinates,has Fobs | Macías, Ramón; Barrett, Simon A; Bould, Jonathan; Dörfler, Udo; Holub, Josef; Kennedy, John D.; Thornton-Pett, Mark; Bohumil Štíbr
Ten-vertex rhodadithiaborane chemistry: [8-{I(CH~2~)~5~}-3-(η^5^-C~5~Me~5~)-<i>arachno</i>-3,7,8-RhS~2~B~8~H~9~]
Acta Crystallographica Section C
57(5)
(2001)
520-522 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/19/2011947.cif $
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2,011,948 | 7.3566 | 0.0008 | 7.1341 | 0.0009 | 13.793 | 0.0013 | 90 | null | 114.28 | 0.02 | 90 | null | 659.86 | 0.16 | 293 | 2 | 293 | 2 | null | null | null | null | 2 | P 1 21/c 1 | -P 2ybc | 14 | Rubidium antimonide | - Rb Sb - | - Rb Sb - | - Rb8 Sb8 - | 8 | 2 | BR1316 | Hirschle, Christian; Emmerling, Franziska; Röhr, Caroline | β-Rubidium antimonide, Rb~4~Sb~4~ | Acta Crystallographica Section C | 2,001 | 57 | 5 | 501 | 502 | 10.1107/S0108270101002451 | 0.7107 | MoKα | 0.1238 | 0.0481 | null | null | null | 0.127 | null | null | null | null | null | 1.022 | null | null | has coordinates,has Fobs | Hirschle, Christian; Emmerling, Franziska; Röhr, Caroline
β-Rubidium antimonide, Rb~4~Sb~4~
Acta Crystallographica Section C
57(5)
(2001)
501-502 | 281,689 | 2023-03-07 | 9:04:01 | #------------------------------------------------------------------------------
#$Date: 2023-03-07 11:04:00 +0200 (Tue, 07 Mar 2023) $
#$Revision: 281689 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/19/2011948.cif $
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2,011,949 | 11.3717 | 0.0006 | 11.3717 | 0.0006 | 36.739 | 0.003 | 90 | null | 90 | null | 120 | null | 4,114.4 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 31 2 1 | P 31 2" | 152 | 3α-hydroxytirucalla-7,24-diene-21-oic acid | - C30 H48 O3 - | - C30 H48 O3 - | - C180 H288 O18 - | 6 | 1 | DA1159 | Mora, Asiloé J.; Delgado, Gerzon; Delgado, Graciela Díaz de; Usubillaga, Alfredo; Khouri, Nancy; Bahsas, Ali | 3α-Hydroxytirucalla-7,24-dien-21-oic acid: a triterpene from <i>Protium crenatum</i> Sandwith | Acta Crystallographica Section C | 2,001 | 57 | 5 | 638 | 640 | 10.1107/S0108270101003316 | 0.71073 | MoKα | 0.101 | 0.049 | null | null | null | 0.14 | null | null | null | null | null | 0.901 | null | null | has coordinates | Mora, Asiloé J.; Delgado, Gerzon; Delgado, Graciela Díaz de; Usubillaga, Alfredo; Khouri, Nancy; Bahsas, Ali
3α-Hydroxytirucalla-7,24-dien-21-oic acid: a triterpene from <i>Protium crenatum</i> Sandwith
Acta Crystallographica Section C
57(5)
(2001)
638-640 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,011,950 | 10.552 | 0.005 | 15.287 | 0.002 | 16.072 | 0.009 | 90 | null | 96.6 | 0.05 | 90 | null | 2,575.4 | 1.9 | 153 | 2 | 153 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C27 H15 B F15 N O - | - C27 H15 B F15 N O - | - C108 H60 B4 F60 N4 O4 - | 4 | 1 | DA1161 | Stibrany, Robert T.; Brant, Patrick | Dimethyl(2-methylphenyl)ammonium hydroxotris(pentafluorophenyl)borate | Acta Crystallographica Section C | 2,001 | 57 | 5 | 644 | 645 | 10.1107/S0108270101003328 | 1.5418 | CuKα | 0.0708 | 0.0444 | null | null | null | 0.1178 | null | null | null | null | null | 1.05 | null | null | has coordinates,has Fobs | Stibrany, Robert T.; Brant, Patrick
Dimethyl(2-methylphenyl)ammonium hydroxotris(pentafluorophenyl)borate
Acta Crystallographica Section C
57(5)
(2001)
644-645 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,011,951 | 7.6541 | 0.0002 | 11.0918 | 0.0003 | 17.599 | 0.0005 | 90 | null | 90 | null | 90 | null | 1,494.12 | 0.07 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | L-Phenylalanyl-L-alanine dihydrate | - C12 H20 N2 O5 - | - C12 H20 N2 O5 - | - C48 H80 N8 O20 - | 4 | 1 | DA1163 | Görbitz, Carl Henrik | <small>L</small>-Phenylalanyl-<small>L</small>-alanine dihydrate | Acta Crystallographica Section C | 2,001 | 57 | 5 | 575 | 576 | 10.1107/S010827010100155X | 0.71073 | MoKα | 0.0444 | 0.0348 | null | null | null | 0.0895 | null | null | null | null | null | 1.022 | null | null | has coordinates,has Fobs | Görbitz, Carl Henrik
<small>L</small>-Phenylalanyl-<small>L</small>-alanine dihydrate
Acta Crystallographica Section C
57(5)
(2001)
575-576 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/19/2011951.cif $
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2,011,952 | 8.596 | 0.004 | 9.15 | 0.005 | 10.724 | 0.005 | 92.528 | 0.009 | 101.917 | 0.009 | 99.127 | 0.009 | 812.3 | 0.7 | 153 | 2 | 153 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | trans-bis(hexafluoroantimonato-F)(phthalocyaninato- κ^4^N^29^,N^30^,N^31^,N^32^)copper(II) | - C32 H16 Cu F12 N8 Sb2 - | - C32 H16 Cu F12 N8 Sb2 - | - C32 H16 Cu F12 N8 Sb2 - | 1 | 0.5 | DA1164 | Gardberg, Anna S.; Ibers, James A. | <i>trans</i>-Bis(hexafluoroantimonato)(phthalocyaninato)copper(II) | Acta Crystallographica Section C | 2,001 | 57 | 5 | 528 | 529 | 10.1107/S0108270101001561 | 0.71073 | MoKα | 0.114 | 0.064 | null | null | null | 0.15 | null | null | null | null | null | 1.343 | null | null | has coordinates,has Fobs | Gardberg, Anna S.; Ibers, James A.
<i>trans</i>-Bis(hexafluoroantimonato)(phthalocyaninato)copper(II)
Acta Crystallographica Section C
57(5)
(2001)
528-529 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/19/2011952.cif $
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2,011,953 | 10.474 | 0.002 | 13.221 | 0.002 | 20.288 | 0.003 | 90 | null | 91.33 | 0.01 | 90 | null | 2,808.7 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | [Ni(rac-Me6[14]aneN4)(nicotinato)]ClO4 | (Nicotinato-O,O')(C-rac-5,5,7,12,12,14-hexamethyl-1,4,8,11- tetraazacyclotetradecane-N,N',N'',N''')nickel(II) perchlorate | - C22 H40 Cl N5 Ni O6 - | - C22 H40 Cl N5 Ni O6 - | - C88 H160 Cl4 N20 Ni4 O24 - | 4 | 1 | DA1165 | Basiuk, Elena V.; Basiuk, Vladimir A.; Hernández-Ortega, Simón; Martínez-García, Marcos; Saniger-Blesa, José-Manuel | (<i>C</i>-<i>rac</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)(nicotinato-<i>O</i>,<i>O</i>')nickel(II) perchlorate | Acta Crystallographica Section C | 2,001 | 57 | 5 | 553 | 555 | 10.1107/S010827010100333X | 0.71073 | MoKα | 0.087 | 0.046 | null | null | null | 0.1 | null | null | null | null | null | 0.959 | null | null | has coordinates,has Fobs | Basiuk, Elena V.; Basiuk, Vladimir A.; Hernández-Ortega, Simón; Martínez-García, Marcos; Saniger-Blesa, José-Manuel
(<i>C</i>-<i>rac</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)(nicotinato-<i>O</i>,<i>O</i>')nickel(II) perchlorate
Acta Crystallographica Section C
57(5)
(2001)
553-555 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/19/2011953.cif $
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2,011,954 | 12.313 | 0.002 | 10.674 | 0.005 | 19.535 | 0.002 | 90 | null | 90 | null | 90 | null | 2,567.5 | 1.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | 7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol | 7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol | - C14 H18 O2 S - | - C14 H18 O2 S - | - C112 H144 O16 S8 - | 8 | 1 | DA1168 | Parvez, Masood; Senthil, Govindaraji; Yadav, Veejendra K. | 7-Phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol stereoisomers | Acta Crystallographica Section C | 2,001 | 57 | 5 | 577 | 579 | 10.1107/S0108270101001573 | 1.54178 | CuKα | 0.081 | 0.052 | null | null | null | 0.15 | null | null | null | null | null | 1.03 | null | null | has coordinates,has Fobs | Parvez, Masood; Senthil, Govindaraji; Yadav, Veejendra K.
7-Phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol stereoisomers
Acta Crystallographica Section C
57(5)
(2001)
577-579 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/19/2011954.cif $
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2,011,955 | 22.136 | 0.008 | 10.144 | 0.002 | 24.923 | 0.006 | 90 | null | 114.17 | 0.02 | 90 | null | 5,106 | 3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | 7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol | 7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol | - C14 H18 O2 S - | - C14 H18 O2 S - | - C224 H288 O32 S16 - | 16 | 2 | DA1168 | Parvez, Masood; Senthil, Govindaraji; Yadav, Veejendra K. | 7-Phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol stereoisomers | Acta Crystallographica Section C | 2,001 | 57 | 5 | 577 | 579 | 10.1107/S0108270101001573 | 1.54178 | CuKα | 0.075 | 0.044 | null | null | null | 0.124 | null | null | null | null | null | 1.03 | null | null | has coordinates,has disorder,has Fobs | Parvez, Masood; Senthil, Govindaraji; Yadav, Veejendra K.
7-Phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol stereoisomers
Acta Crystallographica Section C
57(5)
(2001)
577-579 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/19/2011955.cif $
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2,011,956 | 5.8759 | 0.0006 | 6.9198 | 0.0007 | 22.262 | 0.002 | 90 | null | 90.08 | 0.002 | 90 | null | 905.17 | 0.15 | 153 | 2 | 153 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | gabapentin | 1-(aminomethyl)cyclohexaneacetic acid | - C9 H17 N O2 - | - C9 H17 N O2 - | - C36 H68 N4 O8 - | 4 | 1 | DA1172 | Ibers, James A. | Gabapentin and gabapentin monohydrate | Acta Crystallographica Section C | 2,001 | 57 | 5 | 641 | 643 | 10.1107/S0108270101003341 | 0.71073 | MoKα | 0.0664 | 0.0464 | null | null | null | 0.1182 | null | null | null | null | null | 0.981 | null | null | has coordinates,has Fobs | Ibers, James A.
Gabapentin and gabapentin monohydrate
Acta Crystallographica Section C
57(5)
(2001)
641-643 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/19/2011956.cif $
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2,011,957 | 14.567 | 0.003 | 9.2153 | 0.0018 | 7.6503 | 0.0015 | 90 | null | 93.375 | 0.003 | 90 | null | 1,025.2 | 0.4 | 153 | 2 | 153 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | gabapentin monohydrate | 1-(aminomethyl)cyclohexaneacetic acid monohydrate | - C9 H19 N O3 - | - C9 H19 N O3 - | - C36 H76 N4 O12 - | 4 | 1 | DA1172 | Ibers, James A. | Gabapentin and gabapentin monohydrate | Acta Crystallographica Section C | 2,001 | 57 | 5 | 641 | 643 | 10.1107/S0108270101003341 | 0.71073 | MoKα | 0.0997 | 0.0573 | null | null | null | 0.1329 | null | null | null | null | null | 0.974 | null | null | has coordinates,has Fobs | Ibers, James A.
Gabapentin and gabapentin monohydrate
Acta Crystallographica Section C
57(5)
(2001)
641-643 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/19/2011957.cif $
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2,011,958 | 8.0796 | 0.0004 | 10.197 | 0.0007 | 13.7534 | 0.0009 | 90 | null | 90 | null | 90 | null | 1,133.11 | 0.12 | 293 | null | null | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 9,10-dimethoxy-11-oxatricyclo[6.2.1.0^2,7^]undeca-4,9-diene-3,6-diol | - C12 H16 O5 - | - C12 H16 O5 - | - C48 H64 O20 - | 4 | 1 | DA1175 | Zukerman-Schpector, J.; Caracelli, I.; Vega, Mauricio; Constantino, Mauricio Gomes; Beatriz, Adilson; da Silva, Gil Valdo | Two polycyclic compounds derived from a Diels–Alder reaction | Acta Crystallographica Section C | 2,001 | 57 | 5 | 646 | 648 | 10.1107/S0108270101003365 | 0.71073 | MoKα | 0.034 | 0.028 | null | 0.073 | null | 0.071 | null | null | 1.054 | null | null | 1.054 | null | null | has coordinates,has Fobs | Zukerman-Schpector, J.; Caracelli, I.; Vega, Mauricio; Constantino, Mauricio Gomes; Beatriz, Adilson; da Silva, Gil Valdo
Two polycyclic compounds derived from a Diels–Alder reaction
Acta Crystallographica Section C
57(5)
(2001)
646-648 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/19/2011958.cif $
#-------------------------------------------------------------------... | ||||||||||
2,011,959 | 7.545 | 0.001 | 10.75 | 0.001 | 27.336 | 0.003 | 90 | null | 94.69 | 0.02 | 90 | null | 2,209.8 | 0.4 | 293 | null | null | null | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | 5,6-dimethoxy-3,7-dioxatetracyclo[6.4.0.0^2,6^0^4,12^]dodec-9-en-11-ol | - C12 H16 O5 - | - C12 H16 O5 - | - C96 H128 O40 - | 8 | 1 | DA1175 | Zukerman-Schpector, J.; Caracelli, I.; Vega, Mauricio; Constantino, Mauricio Gomes; Beatriz, Adilson; da Silva, Gil Valdo | Two polycyclic compounds derived from a Diels–Alder reaction | Acta Crystallographica Section C | 2,001 | 57 | 5 | 646 | 648 | 10.1107/S0108270101003365 | 0.71073 | MoKα | 0.061 | 0.04 | null | 0.111 | null | 0.1 | null | null | 1.055 | null | null | 1.055 | null | null | has coordinates,has Fobs | Zukerman-Schpector, J.; Caracelli, I.; Vega, Mauricio; Constantino, Mauricio Gomes; Beatriz, Adilson; da Silva, Gil Valdo
Two polycyclic compounds derived from a Diels–Alder reaction
Acta Crystallographica Section C
57(5)
(2001)
646-648 | 301,798 | 2025-08-19 | 6:41:48 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/19/2011959.cif $
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