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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,010,187 | 8.084 | 0.001 | 15.557 | 0.001 | 10.518 | 0.002 | 90 | null | 95.1 | 0.01 | 90 | null | 1,317.5 | 0.3 | 293 | null | null | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C12 H8 Cu N4 S2 - | - C12 H8 Cu N4 S2 - | - C48 H32 Cu4 N16 S8 - | 4 | 0.5 | HR1026 | Parker, O. Jerry; Wilson, Billie L.; Breneman, Gary L. | (2,2'-Bipyridine)bis(thiocyanato-<i>N</i>)copper(II), [Cu(bipy)(NCS)~2~] | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1681 | 1683 | 10.1107/S0108270194006980 | 0.71073 | MoKα | null | 0.041 | null | null | 0.05 | null | null | null | null | 1.63 | 1.63 | null | null | null | has coordinates | Parker, O. Jerry; Wilson, Billie L.; Breneman, Gary L.
(2,2'-Bipyridine)bis(thiocyanato-<i>N</i>)copper(II), [Cu(bipy)(NCS)~2~]
Acta Crystallographica Section C
50(11)
(1994)
1681-1683 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,188 | 7.261 | 0.001 | 16.913 | 0.002 | 11.574 | 0.001 | 90 | null | 94.85 | 0.01 | 90 | null | 1,416.3 | 0.3 | 291 | 1 | 291 | 1 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 3'-(2,6-Dichlorophenyl)spiroo[bicyclo[2.2.1]heptane-2,5'(4'H)-isoxazole- 3-one | - C15 H13 Cl2 N O2 - | - C15 H13 Cl2 N O2 - | - C60 H52 Cl8 N4 O8 - | 4 | 1 | HR1029 | Mackay, M. F.; Savage, G. P.; Simpson, G.W. | 3'-(2,6-Dichlorophenyl)bicyclo[2.2.1]heptane-2-spiro-5'(4'<i>H</i>)-isoxazole-3-one | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1772 | 1774 | 10.1107/S0108270194004622 | 1.5418 | CopperKα | null | 0.046 | null | null | 0.066 | null | null | null | null | 1.55 | 1.55 | null | null | null | has coordinates | Mackay, M. F.; Savage, G. P.; Simpson, G.W.
3'-(2,6-Dichlorophenyl)bicyclo[2.2.1]heptane-2-spiro-5'(4'<i>H</i>)-isoxazole-3-one
Acta Crystallographica Section C
50(11)
(1994)
1772-1774 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,189 | 9.278 | 0.004 | 11.635 | 0.008 | 15.812 | 0.004 | 76.46 | 0.05 | 78.46 | 0.04 | 72.77 | 0.05 | 1,569.2 | 1.4 | 297 | 2 | 297 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | Dimethyl 1-(4-acetoxy-3,5-dimethoxyphenyl)-4,7,9-trimethoxy- 8-oxospiro[4.5]deca-6,9-diene-trans-2,3-dicarboxylate acetone solvate | - C30 H38 O13 - | - C30 H38 O13 - | - C60 H76 O26 - | 2 | 1 | HR1032 | Pajunen, Aarne; Brunow, Gösta; Setälä, Harri | Dimethyl-1-(4-acetoxy-3,5-dimethoxyphenyl)-4,7,9-trimethoxy-8-oxospiro[4.5]deca-6,9-diene-<i>trans</i>-2,3-dicarboxylate acetone solvate | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1823 | 1825 | 10.1107/S0108270194006979 | 0.71069 | MoKα | 0.1716 | 0.0955 | null | 0.3174 | 0.2855 | null | null | null | 1.007 | 1.353 | 1.353 | null | null | null | has coordinates,has disorder | Pajunen, Aarne; Brunow, Gösta; Setälä, Harri
Dimethyl-1-(4-acetoxy-3,5-dimethoxyphenyl)-4,7,9-trimethoxy-8-oxospiro[4.5]deca-6,9-diene-<i>trans</i>-2,3-dicarboxylate acetone solvate
Acta Crystallographica Section C
50(11)
(1994)
1823-1825 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,190 | 7.486 | 0.006 | 8.965 | 0.006 | 11.323 | 0.008 | 98.91 | 0.05 | 92.71 | 0.06 | 98.82 | 0.06 | 739.9 | 0.9 | 220 | 2 | 220 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | anti,anti-N-(2,6-dimethyl-1,3,5-trithian-1-ylidene)-4-methylbenzenesulfonamide | - C12 H17 N O2 S4 - | - C12 H17 N O2 S4 - | - C24 H34 N2 O4 S8 - | 2 | 1 | HR1035 | Errington, William; Sparey, Tim J.; Taylor, Paul C. | <i>anti</i>,<i>anti</i>-<i>N</i>-(2,6-Dimethyl-1,3,5-trithian-1-ylidene)-4-methylbenzenesulfonamide | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1821 | 1823 | 10.1107/S0108270194007110 | 0.71073 | MoKα | 0.0453 | 0.0382 | null | 0.1146 | 0.1076 | null | null | null | 1.045 | 1.066 | 1.066 | null | null | null | has coordinates | Errington, William; Sparey, Tim J.; Taylor, Paul C.
<i>anti</i>,<i>anti</i>-<i>N</i>-(2,6-Dimethyl-1,3,5-trithian-1-ylidene)-4-methylbenzenesulfonamide
Acta Crystallographica Section C
50(11)
(1994)
1821-1823 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,191 | 8.547 | 0.002 | 10.187 | 0.004 | 13.895 | 0.006 | 72.45 | 0.03 | 85.2 | 0.03 | 86.06 | 0.03 | 1,148.3 | 0.7 | 295 | null | null | null | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C42 H24 Cu2 F12 N2 O8 S4 - | - C42 H24 Cu2 F12 N2 O8 S4 - | - C42 H24 Cu2 F12 N2 O8 S4 - | 1 | 0.5 | HU1025 | Li, M.-X.; Xu, Z.; You, X.-Z.; Chen, C.-G. | A binuclear copper(II) complex: μ-(4,4'-bipyridine)-<i>N</i>:<i>N</i>'-bis{bis[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato-<i>O</i>,<i>O</i>']copper} | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1699 | 1701 | 10.1107/S0108270194003276 | 0.7093 | MoKα | null | 0.056 | null | null | 0.063 | null | null | null | null | 1.52 | 1.52 | null | null | null | has coordinates | Li, M.-X.; Xu, Z.; You, X.-Z.; Chen, C.-G.
A binuclear copper(II) complex: μ-(4,4'-bipyridine)-<i>N</i>:<i>N</i>'-bis{bis[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato-<i>O</i>,<i>O</i>']copper}
Acta Crystallographica Section C
50(11)
(1994)
1699-1701 | 278,247 | 2022-09-28 | 15:09:32 | #------------------------------------------------------------------------------
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2,010,192 | 10.778 | 0.002 | 23.669 | 0.01 | 11.483 | 0.002 | 90 | null | 111.57 | 0.01 | 90 | null | 2,724.2 | 1.4 | 293 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C15 H15 Br N2 - | - C15 H15 Br N2 - | - C120 H120 Br8 N16 - | 8 | 2 | HU1034 | Ahmet, M.T.; Silver, J.; Houlton, A. | Influence of crystal environment on molecular conformation: <i>p</i>-bromo-<i>N</i>-(<i>p</i>-dimethylaminobenzylidene)aniline | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1814 | 1818 | 10.1107/S0108270194003252 | 0.71073 | MoKα | null | 0.037 | null | null | 0.044 | null | null | null | null | 0.575 | 0.575 | null | null | null | has coordinates | Ahmet, M.T.; Silver, J.; Houlton, A.
Influence of crystal environment on molecular conformation: <i>p</i>-bromo-<i>N</i>-(<i>p</i>-dimethylaminobenzylidene)aniline
Acta Crystallographica Section C
50(11)
(1994)
1814-1818 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,193 | 7.957 | 0.001 | 9.488 | 0.001 | 13.312 | 0.003 | 89.68 | 0.01 | 76.86 | 0.01 | 81.17 | 0.01 | 966.6 | 0.3 | 293 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C20 H14 Au Br3 N2 - | - C20 H14 Au Br3 N2 - | - C40 H28 Au2 Br6 N4 - | 2 | 1 | HU1070 | Baggio, R.F.; Moya, S.A.; Schmied, R.; Gulippi, M.; Guerrero, J.; Sartori, R.; Garland, M.T. | Bis(3,3'-dimethylene-2,2'-biquinolinium)tetrabromoaurate(III) dibromoaurate (I) | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1701 | 1703 | 10.1107/S0108270194000077 | 0.71073 | MoKα | null | 0.0455 | null | null | 0.0595 | null | null | null | null | 0.8 | 0.8 | null | null | null | has coordinates | Baggio, R.F.; Moya, S.A.; Schmied, R.; Gulippi, M.; Guerrero, J.; Sartori, R.; Garland, M.T.
Bis(3,3'-dimethylene-2,2'-biquinolinium)tetrabromoaurate(III) dibromoaurate (I)
Acta Crystallographica Section C
50(11)
(1994)
1701-1703 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,194 | 14.724 | 0.003 | 7.621 | 0.002 | 11.844 | 0.002 | 90 | null | 95.17 | 0.03 | 90 | null | 1,323.6 | 0.5 | 153 | 2 | 153 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | monoacetylparacyclophane | 4-acetyl(2.2)paracyclophane | - C18 H18 O - | - C18 H18 O - | - C72 H72 O4 - | 4 | 1 | HU1077 | Lindeman, Sergey V.; Struchkov, Yuri T.; Guryshev, Vyacheslav N. | 5-Acetyl[2.2]paracyclophane | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1747 | 1749 | 10.1107/S0108270194003264 | 0.71069 | MoKα | 0.0606 | 0.0512 | null | 0.1668 | 0.1461 | null | null | null | 1.057 | 1.056 | 1.056 | null | null | null | has coordinates | Lindeman, Sergey V.; Struchkov, Yuri T.; Guryshev, Vyacheslav N.
5-Acetyl[2.2]paracyclophane
Acta Crystallographica Section C
50(11)
(1994)
1747-1749 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,195 | 11.663 | 0.002 | 11.909 | 0.01 | 15.306 | 0.01 | 76.01 | 0.06 | 84.67 | 0.03 | 87.14 | 0.04 | 2,053 | 2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | N-(2-hydroxyethyl)pyrrolidinium[2-[(2,6-dichlorophenyl)amino]phenyl]acetate | - C20 H24 Cl2 N2 O3 - | - C20 H24 Cl2 N2 O3 - | - C80 H96 Cl8 N8 O12 - | 4 | 2 | HU1099 | Castellari, Carlo; Sabatino, Piera | Anti-inflammatory drugs: 1-(2-hydroxyethyl)pyrrolidinium salt of diclofenac | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1723 | 1726 | 10.1107/S0108270194003926 | 0.71069 | MoKα | 0.0608 | 0.0443 | null | 0.1191 | 0.108 | null | null | null | 1.068 | 1.147 | 1.147 | null | null | null | has coordinates | Castellari, Carlo; Sabatino, Piera
Anti-inflammatory drugs: 1-(2-hydroxyethyl)pyrrolidinium salt of diclofenac
Acta Crystallographica Section C
50(11)
(1994)
1723-1726 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,196 | 10.888 | 0.008 | 5.095 | 0.003 | 10.923 | 0.008 | 90 | null | 111.16 | 0.05 | 90 | null | 565.1 | 0.7 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | 3-chloro-2-oxopropyltosylate | 3-Chloro-2-oxopropyl-p-toluenesulfonate | - C10 H11 Cl O4 S - | - C10 H11 Cl O4 S - | - C20 H22 Cl2 O8 S2 - | 2 | 1 | HU1109 | Howard, Judith A.K.; Batsanov, Andrei S.; O'Hagan, David; White, Jeffrey | 3-Chloro- and 3-bromo-2-oxopropyl-<i>p</i>-toluenesulfonate | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1825 | 1828 | 10.1107/S0108270194006499 | 0.71073 | MoKα | 0.0423 | 0.0341 | null | 0.1033 | 0.0905 | null | null | null | 1.061 | 1.072 | 1.072 | null | null | null | has coordinates | Howard, Judith A.K.; Batsanov, Andrei S.; O'Hagan, David; White, Jeffrey
3-Chloro- and 3-bromo-2-oxopropyl-<i>p</i>-toluenesulfonate
Acta Crystallographica Section C
50(11)
(1994)
1825-1828 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,197 | 11.002 | 0.002 | 5.16 | 0.002 | 22.49 | 0.003 | 90 | null | 110.48 | 0.03 | 90 | null | 1,196.1 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 3-Bromo-2-oxopropyltosylate | 3-Bromo-2-oxopropyl-p-toluenesulfonate | - C10 H11 Br O4 S - | - C10 H11 Br O4 S - | - C40 H44 Br4 O16 S4 - | 4 | 1 | HU1109 | Howard, Judith A.K.; Batsanov, Andrei S.; O'Hagan, David; White, Jeffrey | 3-Chloro- and 3-bromo-2-oxopropyl-<i>p</i>-toluenesulfonate | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1825 | 1828 | 10.1107/S0108270194006499 | 0.71073 | MoKα | 0.1236 | 0.0401 | null | 0.1092 | 0.0877 | null | null | null | 1.018 | 1.117 | 1.117 | null | null | null | has coordinates | Howard, Judith A.K.; Batsanov, Andrei S.; O'Hagan, David; White, Jeffrey
3-Chloro- and 3-bromo-2-oxopropyl-<i>p</i>-toluenesulfonate
Acta Crystallographica Section C
50(11)
(1994)
1825-1828 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,198 | 8.981 | 0.006 | 25.31 | 0.006 | 7.545 | 0.003 | 90 | null | 109.11 | 0.03 | 90 | null | 1,620.5 | 1.3 | 293 | null | null | null | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | - C19 H24 F N O - | - C19 H24 F N O - | - C76 H96 F4 N4 O4 - | 4 | 2 | KA1034 | Stanković, S.; Petrović, J.; Miljković, D.; Pejanović, V.; Stefanović, A.; Bruvo, M. | <small>D</small>-Secoestrone derivatives. III. 17-Fluoro-3-methoxy-16,17-secoestra-1,3,5(10)-triene-16-nitrile | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1745 | 1747 | 10.1107/S0108270193012545 | 0.71069 | MoKα | null | 0.051 | null | null | 0.055 | null | null | null | null | 0.349 | 0.349 | null | null | null | has coordinates | Stanković, S.; Petrović, J.; Miljković, D.; Pejanović, V.; Stefanović, A.; Bruvo, M.
<small>D</small>-Secoestrone derivatives. III. 17-Fluoro-3-methoxy-16,17-secoestra-1,3,5(10)-triene-16-nitrile
Acta Crystallographica Section C
50(11)
(1994)
1745-1747 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,199 | 8.243 | 0.01 | 8.717 | 0.009 | 10.652 | 0.009 | 67.91 | 0.07 | 81.73 | 0.09 | 74.09 | 0.09 | 681.3 | 1.3 | 293 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C16 H13 N O5 - | - C16 H13 N O5 - | - C32 H26 N2 O10 - | 2 | 1 | KA1054 | Vrábel, V.; Lokaj, J.; Sivý, J.; Ilavský, D; Bartovic, A. | 3-[5-(2-Nitrophenyl)furfurylidene]-2,4-pentanedione | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1777 | 1779 | 10.1107/S0108270193013277 | 0.71069 | MoKα | null | 0.054 | null | null | 0.051 | null | null | null | null | 0.84 | 0.84 | null | null | null | has coordinates | Vrábel, V.; Lokaj, J.; Sivý, J.; Ilavský, D; Bartovic, A.
3-[5-(2-Nitrophenyl)furfurylidene]-2,4-pentanedione
Acta Crystallographica Section C
50(11)
(1994)
1777-1779 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,200 | 22.391 | 0.009 | 3.876 | 0.003 | 17.683 | 0.007 | 90 | null | 90.12 | 0.03 | 90 | null | 1,534.7 | 1.5 | 293 | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | null | - C7 H10 N4 O - | - C7 H10 N4 O - | - C56 H80 N32 O8 - | 8 | 1 | KA1062 | Cousson, A.; Nectoux, F.; Bachet, B.; Kokel, B.; Hubert-Habart, M. | 5-Acetyl-4-methyl-2-pyrimidinylhydrazine and 5-(1-hydrazonoethyl)-4-methyl-2-pyrimidinylhydrazine, C~7~H~10~N~4~O and C~7~H~12~N~6~ | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1753 | 1756 | 10.1107/S0108270194002106 | 1.5418 | CuKα | null | 0.038 | null | null | 0.039 | null | null | null | null | 1.5 | 1.5 | null | null | null | has coordinates | Cousson, A.; Nectoux, F.; Bachet, B.; Kokel, B.; Hubert-Habart, M.
5-Acetyl-4-methyl-2-pyrimidinylhydrazine and 5-(1-hydrazonoethyl)-4-methyl-2-pyrimidinylhydrazine, C~7~H~10~N~4~O and C~7~H~12~N~6~
Acta Crystallographica Section C
50(11)
(1994)
1753-1756 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,201 | 7.944 | 0.005 | 8.485 | 0.006 | 6.829 | 0.003 | 87.11 | 0.02 | 93.65 | 0.03 | 111.58 | 0.02 | 427 | 0.4 | 293 | null | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C7 H12 N6 - | - C7 H12 N6 - | - C14 H24 N12 - | 2 | 1 | KA1062 | Cousson, A.; Nectoux, F.; Bachet, B.; Kokel, B.; Hubert-Habart, M. | 5-Acetyl-4-methyl-2-pyrimidinylhydrazine and 5-(1-hydrazonoethyl)-4-methyl-2-pyrimidinylhydrazine, C~7~H~10~N~4~O and C~7~H~12~N~6~ | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1753 | 1756 | 10.1107/S0108270194002106 | 1.5418 | CuKα | null | 0.057 | null | null | 0.058 | null | null | null | null | 2.2 | 2.2 | null | null | null | has coordinates | Cousson, A.; Nectoux, F.; Bachet, B.; Kokel, B.; Hubert-Habart, M.
5-Acetyl-4-methyl-2-pyrimidinylhydrazine and 5-(1-hydrazonoethyl)-4-methyl-2-pyrimidinylhydrazine, C~7~H~10~N~4~O and C~7~H~12~N~6~
Acta Crystallographica Section C
50(11)
(1994)
1753-1756 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,202 | 17.714 | 0.009 | 7.571 | 0.005 | 17.974 | 0.01 | 90 | null | 103.85 | 0.06 | 90 | null | 2,340 | 2 | 293 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | null | - C28 H25 N3 O4 - | - C29 H23 N3 O4 - | - C116 H92 N12 O16 - | 4 | 1 | KA1063 | Lokaj, J.; Kettmann, V.; Vrábel, V.; Ilavský, D.; Milata, V. | Diethyl 2-(2,3-diphenylquinoxalin-6-ylaminomethylene)malonate | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1784 | 1786 | 10.1107/S0108270194001964 | 0.71069 | MoKα | null | 0.072 | null | null | 0.068 | null | null | null | null | 1.23 | 1.23 | null | null | null | has coordinates | Lokaj, J.; Kettmann, V.; Vrábel, V.; Ilavský, D.; Milata, V.
Diethyl 2-(2,3-diphenylquinoxalin-6-ylaminomethylene)malonate
Acta Crystallographica Section C
50(11)
(1994)
1784-1786 | 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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2,010,203 | 12.1732 | 0.0009 | 6.8173 | 0.0006 | 16.737 | 0.001 | 90 | null | 93.457 | 0.006 | 90 | null | 1,386.45 | 0.18 | 293 | null | 293 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | Ethyl (E)-2-benzoyl-3-dimethylaminopropenoate | - C14 H17 N O3 - | - C14 H17 N O3 - | - C56 H68 N4 O12 - | 4 | 1 | KA1064 | Sinur, Amalija; Golič, Ljubo; Stanovnik, Branko | Three substituted 3-aminopropenoates | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1842 | 1846 | 10.1107/S0108270193013423 | 0.71069 | MoKα | 0.06 | 0.047 | null | 0.066 | 0.049 | null | null | null | 0.988 | 0.957 | 0.957 | null | null | null | has coordinates | Sinur, Amalija; Golič, Ljubo; Stanovnik, Branko
Three substituted 3-aminopropenoates
Acta Crystallographica Section C
50(11)
(1994)
1842-1846 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,204 | 8.29 | 0.001 | 8.067 | 0.001 | 12.5 | 0.002 | 90.38 | 0.01 | 94.5 | 0.02 | 90.35 | 0.02 | 833.3 | 0.2 | 293 | null | 293 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | Ethyl (Z)-2-benzoyl-3-(3'-nitrophenyl)aminopropenoate | - C18 H16 N2 O5 - | - C18 H16 N2 O5 - | - C36 H32 N4 O10 - | 2 | 1 | KA1064 | Sinur, Amalija; Golič, Ljubo; Stanovnik, Branko | Three substituted 3-aminopropenoates | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1842 | 1846 | 10.1107/S0108270193013423 | 0.71069 | MoKα | 0.068 | 0.059 | null | 0.072 | 0.062 | null | null | null | 0.947 | 0.997 | 0.997 | null | null | null | has coordinates | Sinur, Amalija; Golič, Ljubo; Stanovnik, Branko
Three substituted 3-aminopropenoates
Acta Crystallographica Section C
50(11)
(1994)
1842-1846 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,205 | 8.3383 | 0.0007 | 9.4365 | 0.0007 | 10.5925 | 0.0008 | 71.904 | 0.007 | 88.558 | 0.007 | 81.614 | 0.008 | 783.59 | 0.11 | 293 | null | 293 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | Methyl (Z)-3-(4,6-dimethylpyrimidinyl-2)amino-2-(1-methoxy- -1-methylthio)methyleneaminopropenoate | - C13 H18 N4 O3 S - | - C13 H18 N4 O3 S - | - C26 H36 N8 O6 S2 - | 2 | 1 | KA1064 | Sinur, Amalija; Golič, Ljubo; Stanovnik, Branko | Three substituted 3-aminopropenoates | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1842 | 1846 | 10.1107/S0108270193013423 | 0.71069 | MoKα | 0.06 | 0.042 | null | 0.058 | 0.044 | null | null | null | 0.983 | 1.019 | 1.019 | null | null | null | has coordinates | Sinur, Amalija; Golič, Ljubo; Stanovnik, Branko
Three substituted 3-aminopropenoates
Acta Crystallographica Section C
50(11)
(1994)
1842-1846 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,206 | 3.793 | 0.0006 | 15.704 | 0.002 | 25.035 | 0.002 | 90 | null | 90 | null | 90 | null | 1,491.2 | 0.3 | 293 | null | null | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C8 H5 Cl N2 O - | - C8 H5 Cl N2 O - | - C64 H40 Cl8 N16 O8 - | 8 | 2 | KA1066 | Gλówka, M.L.; Iwanicka, I.; Olczak, A. | 6-Chloro-4(1<i>H</i>)-cinnolinone | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1770 | 1772 | 10.1107/S0108270194001058 | 1.54178 | CuKα | null | 0.043 | null | null | 0.058 | null | null | null | null | 0.77 | 0.77 | null | null | null | has coordinates | Gλówka, M.L.; Iwanicka, I.; Olczak, A.
6-Chloro-4(1<i>H</i>)-cinnolinone
Acta Crystallographica Section C
50(11)
(1994)
1770-1772 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010206.cif $
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2,010,207 | 10.058 | 0.001 | 10.154 | 0.001 | 13.296 | 0.001 | 90 | null | 94.8 | 0.01 | 90 | null | 1,353.1 | 0.2 | 293 | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C16 H23 N - | - C16 H23 N - | - C64 H92 N4 - | 4 | 1 | KA1074 | Fröhlich, Roland; Grehl, Matthias; Kramm-Glade, Sigrid; Laschat, Sabine | Two octahydroacridines | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1798 | 1801 | 10.1107/S010827019400435X | 0.71073 | MoKα | null | 0.061 | null | null | 0.196 | null | null | null | null | 1.175 | 1.175 | null | null | null | has coordinates | Fröhlich, Roland; Grehl, Matthias; Kramm-Glade, Sigrid; Laschat, Sabine
Two octahydroacridines
Acta Crystallographica Section C
50(11)
(1994)
1798-1801 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$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/2/01/02/2010207.cif $
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2,010,208 | 9.016 | 0.001 | 18.475 | 0.002 | 9.295 | 0.001 | 90 | null | 106.85 | 0.01 | 90 | null | 1,481.8 | 0.3 | 293 | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C17 H25 N - | - C17 H25 N - | - C68 H100 N4 - | 4 | 1 | KA1074 | Fröhlich, Roland; Grehl, Matthias; Kramm-Glade, Sigrid; Laschat, Sabine | Two octahydroacridines | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1798 | 1801 | 10.1107/S010827019400435X | 1.54178 | CuKα | null | 0.072 | null | null | 0.209 | null | null | null | null | 1.035 | 1.035 | null | null | null | has coordinates | Fröhlich, Roland; Grehl, Matthias; Kramm-Glade, Sigrid; Laschat, Sabine
Two octahydroacridines
Acta Crystallographica Section C
50(11)
(1994)
1798-1801 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,209 | 7.487 | 0.001 | 19.6 | 0.002 | 11.287 | 0.001 | 90 | null | 90 | null | 90 | null | 1,656.3 | 0.3 | 295 | null | null | null | null | null | null | null | 3 | P n a 21 | P 2c -2n | null | - C23 H17 N - | - C23 H17 N - | - C92 H68 N4 - | 4 | 1 | LI1076 | Ondracek, J.; Novotny, J.; Petru, M.; Lhotak, P.; Kuthan, J. | 2,4,6-Triphenylpyridine | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1809 | 1811 | 10.1107/S0108270194002441 | 0.71073 | MoKα | null | 0.039 | null | null | 0.039 | null | null | null | null | 0.35 | 0.35 | null | null | null | has coordinates | Ondracek, J.; Novotny, J.; Petru, M.; Lhotak, P.; Kuthan, J.
2,4,6-Triphenylpyridine
Acta Crystallographica Section C
50(11)
(1994)
1809-1811 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$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/2/01/02/2010209.cif $
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2,010,210 | 10.003 | 0.002 | 14.636 | 0.003 | 28.724 | 0.007 | 90 | null | 90 | null | 90 | null | 4,205.3 | 1.6 | 296 | null | null | null | null | null | null | null | 4 | P b c a | -P 2ac 2ab | null | - C27 H22 N2 O2 - | - C27 H22 N2 O2 - | - C216 H176 N16 O16 - | 8 | 1 | LI1081 | He, Y.; Su, G.; Shi, J. | 4,4'-Methylenediiminobis(benzophenone) | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1786 | 1788 | 10.1107/S0108270194002246 | 0.71069 | MoKα | null | 0.071 | null | null | 0.082 | null | null | null | null | 1.63 | 1.63 | null | null | null | has coordinates | He, Y.; Su, G.; Shi, J.
4,4'-Methylenediiminobis(benzophenone)
Acta Crystallographica Section C
50(11)
(1994)
1786-1788 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$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/2/01/02/2010210.cif $
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2,010,211 | 11.967 | 0.009 | 18.125 | 0.009 | 19.502 | 0.007 | 90 | null | 106.62 | 0.03 | 90 | null | 4,053 | 4 | 296 | null | 296 | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | [N,N'-o-phenylenebis(salicylideneaminato)]bis(ethanol)manganese(III) tetraphenylborate | - C48 H48 B Mn N2 O4 - | - C50 H49 B Mn N2 O4 - | - C200 H196 B4 Mn4 N8 O16 - | 4 | 1 | LI1115 | McAuliffe, C.A.; Nabhan, A.; Pritchard, R.G.; Watkinson, M.; Bermejo, M.; Sousa, A. | [Mn(salphen)(EtOH)~2~](BPh~4~) [salphenH~2~ = <i>N</i>,<i>N</i>'-bis(salicylidene)-1,2-diaminobenzene], a further example of a photosynthetic model compound forming dimers linked by hydrogen and π bonds | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1676 | 1678 | 10.1107/S0108270194003379 | 0.71069 | MoKα | null | 0.0697 | null | null | 0.0669 | null | null | null | null | 1.512 | 1.512 | null | null | null | has coordinates | McAuliffe, C.A.; Nabhan, A.; Pritchard, R.G.; Watkinson, M.; Bermejo, M.; Sousa, A.
[Mn(salphen)(EtOH)~2~](BPh~4~) [salphenH~2~ = <i>N</i>,<i>N</i>'-bis(salicylidene)-1,2-diaminobenzene], a further example of a photosynthetic model compound forming dimers linked by hydrogen and π bonds
Acta Crystallographica Section C
... | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,010,212 | 13.627 | 0.003 | 16.619 | 0.006 | 23.942 | 0.004 | 90 | null | 90 | null | 90 | null | 5,422 | 2 | 301 | 2 | 301 | 2 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | - C29 H31 Co N5 O3.5 - | - C29 H31 Co N5 O3.5 - | - C232 H248 Co8 N40 O28 - | 8 | 1 | MU1118 | Elerman, Yalcin; Kabak, Mehmet; Svoboda, Ingrid; Geselle, Marcus | {Tris[<i>N</i>-(salicylidene)-2-aminoethyl]amine}cobalt(III) acetonitrile hemihydrate | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1694 | 1696 | 10.1107/S0108270194005871 | 0.71069 | MoKα | 0.0952 | 0.051 | null | 0.1603 | 0.1316 | null | null | null | 1.115 | 1.181 | 1.181 | null | null | null | has coordinates | Elerman, Yalcin; Kabak, Mehmet; Svoboda, Ingrid; Geselle, Marcus
{Tris[<i>N</i>-(salicylidene)-2-aminoethyl]amine}cobalt(III) acetonitrile hemihydrate
Acta Crystallographica Section C
50(11)
(1994)
1694-1696 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,213 | 5.578 | 0.001 | 15.006 | 0.003 | 6.275 | 0.002 | 90 | null | 117.83 | 0.02 | 90 | null | 464.5 | 0.2 | 293 | null | 293 | null | null | null | null | null | 7 | I 1 2/a 1 | null | - Dy0.028 Er0.018 Gd0.007 H4 O6 P Y0.947 - | - O6 P Y - | - O24 P4 Y4 - | 4 | 0.5 | Kohlmann, Monika; Sowa, Heidrun; Reithmayer, Klaus; Schulz, Heinz; Krüger, Rolf-Rüdiger; Abriel, Walter | Structure of a Y~1-x~(Gd,Dy,Er)~x~PO~4~.2H~2~O Microcrystal Studied Using Synchrotron Radiation | Acta Crystallographica Section C | 1,994 | 50 | 1651 | 1652 | null | null | 0.077 | null | null | 0.052 | null | null | null | null | null | null | null | null | null | has coordinates | Kohlmann, Monika; Sowa, Heidrun; Reithmayer, Klaus; Schulz, Heinz; Krüger, Rolf-Rüdiger; Abriel, Walter
Structure of a Y~1-x~(Gd,Dy,Er)~x~PO~4~.2H~2~O Microcrystal Studied Using Synchrotron Radiation
Acta Crystallographica Section C
50
(1994)
1651-1652 | 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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2,010,214 | 5.995 | 0.001 | 9.08 | 0.001 | 20.379 | 0.002 | 90 | null | 90 | null | 90 | null | 1,109.3 | 0.2 | 293 | null | null | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | null | - C12 H12 O4 - | - C12 H12 O4 - | - C48 H48 O16 - | 4 | 1 | NA1070 | Bolte, M.; Beck, H.; Nieger, M.; Egert, E. | Structural investigation of some lactides | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1717 | 1721 | 10.1107/S0108270194001629 | 0.7107 | MoKα | null | 0.049 | null | null | 0.045 | null | null | null | null | 0.99 | 0.99 | null | null | null | has coordinates | Bolte, M.; Beck, H.; Nieger, M.; Egert, E.
Structural investigation of some lactides
Acta Crystallographica Section C
50(11)
(1994)
1717-1721 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,215 | 11.405 | 0.001 | 8.354 | 0.001 | 17.142 | 0.001 | 90 | null | 90 | null | 90 | null | 1,633.2 | 0.3 | 293 | null | null | null | null | null | null | null | 3 | P c a 21 | P 2c -2ac | null | - C17 H22 O6 - | - C17 H22 O6 - | - C68 H88 O24 - | 4 | 1 | NA1070 | Bolte, M.; Beck, H.; Nieger, M.; Egert, E. | Structural investigation of some lactides | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1717 | 1721 | 10.1107/S0108270194001629 | 0.7107 | MoKα | null | 0.034 | null | null | 0.041 | null | null | null | null | 1.14 | 1.14 | null | null | null | has coordinates | Bolte, M.; Beck, H.; Nieger, M.; Egert, E.
Structural investigation of some lactides
Acta Crystallographica Section C
50(11)
(1994)
1717-1721 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,216 | 10.899 | 0.001 | 11.056 | 0.001 | 12.174 | 0.002 | 90 | null | 99.74 | 0.02 | 90 | null | 1,445.8 | 0.3 | 293 | null | null | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | null | - C13 H22 O6 - | - C13 H22 O6 - | - C52 H88 O24 - | 4 | 1 | NA1070 | Bolte, M.; Beck, H.; Nieger, M.; Egert, E. | Structural investigation of some lactides | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1717 | 1721 | 10.1107/S0108270194001629 | 0.7107 | MoKα | null | 0.046 | null | null | 0.052 | null | null | null | null | 1.34 | 1.34 | null | null | null | has coordinates | Bolte, M.; Beck, H.; Nieger, M.; Egert, E.
Structural investigation of some lactides
Acta Crystallographica Section C
50(11)
(1994)
1717-1721 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,217 | 7.503 | 0.001 | 19.33 | 0.002 | 10.957 | 0.002 | 90 | null | 102.91 | 0.02 | 90 | null | 1,549 | 0.4 | 293 | null | null | null | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | - C15 H22 O6 - | - C15 H22 O6 - | - C60 H88 O24 - | 4 | 2 | NA1070 | Bolte, M.; Beck, H.; Nieger, M.; Egert, E. | Structural investigation of some lactides | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1717 | 1721 | 10.1107/S0108270194001629 | 0.7107 | MoKα | null | 0.041 | null | null | 0.048 | null | null | null | null | 1.27 | 1.27 | null | null | null | has coordinates | Bolte, M.; Beck, H.; Nieger, M.; Egert, E.
Structural investigation of some lactides
Acta Crystallographica Section C
50(11)
(1994)
1717-1721 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,218 | 10.1046 | 0.0014 | 4.7565 | 0.0011 | 11.677 | 0.003 | 90 | null | 92.09 | 0.02 | 90 | null | 560.9 | 0.2 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | trans-p,p-dibromoazobenzene | - C12 H8 Br2 N2 - | - C12 H8 Br2 N2 - | - C24 H16 Br4 N4 - | 2 | 0.5 | NA1099 | Howard, Judith A.K.; Batsanov, Andrei S.; Bryce, Martin R.; Chesney, Antony | A novel modification of <i>trans</i>-<i>p</i>,<i>p</i>'-dibromoazobenzene | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1818 | 1819 | 10.1107/S0108270194004579 | 0.71073 | MoKα | 0.0525 | 0.0288 | null | 0.0721 | 0.0641 | null | null | null | 1.065 | 1.111 | 1.111 | null | null | null | has coordinates | Howard, Judith A.K.; Batsanov, Andrei S.; Bryce, Martin R.; Chesney, Antony
A novel modification of <i>trans</i>-<i>p</i>,<i>p</i>'-dibromoazobenzene
Acta Crystallographica Section C
50(11)
(1994)
1818-1819 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,219 | 14.037 | 0.003 | 11.716 | 0.001 | 9.302 | 0.001 | 90 | null | 90 | null | 90 | null | 1,529.8 | 0.4 | 173 | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | null | - C12 H28 I N - | - C12 H28 I N - | - C48 H112 I4 N4 - | 4 | 1 | OH1039 | Yoshida, T.; Nagata, K.; Yasuniwa, M.; Yoshimatsu, M.; Wunderlich, B. | Low-temperature phase of tetrapropylammonium iodide | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1758 | 1760 | 10.1107/S0108270194000703 | 0.71069 | MoKα | null | 0.0292 | null | null | 0.0315 | null | null | null | null | 0.8657 | 0.8657 | null | null | null | has coordinates | Yoshida, T.; Nagata, K.; Yasuniwa, M.; Yoshimatsu, M.; Wunderlich, B.
Low-temperature phase of tetrapropylammonium iodide
Acta Crystallographica Section C
50(11)
(1994)
1758-1760 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,220 | 8.098 | 0.001 | 9.929 | 0.002 | 7.515 | 0.003 | 92.65 | 0.02 | 94.56 | 0.02 | 96.37 | 0.02 | 597.7 | 0.3 | 298 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C24 H36 N2 O6 - | - C24 H36 N2 O6 - | - C24 H36 N2 O6 - | 1 | 0.5 | OH1060 | Kashino, Setsuo; Iwamoto, Tetsuyuki; Hirata, Suehide; Mizoguchi, Jun-Ichi | Hexamethylenediammonium bis(β-phenylacrylate) dihydrate and hexamethylenediammonium 3,3'-(1,4-phenylene)diacrylate monohydrate | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1741 | 1745 | 10.1107/S0108270193014325 | 0.71073 | MoKα | null | 0.038 | null | null | 0.041 | null | null | null | null | 1.93 | 1.93 | null | null | null | has coordinates | Kashino, Setsuo; Iwamoto, Tetsuyuki; Hirata, Suehide; Mizoguchi, Jun-Ichi
Hexamethylenediammonium bis(β-phenylacrylate) dihydrate and hexamethylenediammonium 3,3'-(1,4-phenylene)diacrylate monohydrate
Acta Crystallographica Section C
50(11)
(1994)
1741-1745 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,221 | 5.558 | 0.002 | 46.03 | 0.02 | 7.418 | 0.003 | 90 | null | 106.82 | 0.04 | 90 | null | 1,816.6 | 1.3 | 295 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C18 H28 N2 O5 - | - C18 H28 N2 O5 - | - C72 H112 N8 O20 - | 4 | 1 | OH1060 | Kashino, Setsuo; Iwamoto, Tetsuyuki; Hirata, Suehide; Mizoguchi, Jun-Ichi | Hexamethylenediammonium bis(β-phenylacrylate) dihydrate and hexamethylenediammonium 3,3'-(1,4-phenylene)diacrylate monohydrate | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1741 | 1745 | 10.1107/S0108270193014325 | 0.71073 | MoKα | null | 0.06 | null | null | 0.045 | null | null | null | null | 1.41 | 1.41 | null | null | null | has coordinates | Kashino, Setsuo; Iwamoto, Tetsuyuki; Hirata, Suehide; Mizoguchi, Jun-Ichi
Hexamethylenediammonium bis(β-phenylacrylate) dihydrate and hexamethylenediammonium 3,3'-(1,4-phenylene)diacrylate monohydrate
Acta Crystallographica Section C
50(11)
(1994)
1741-1745 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,222 | 8.41 | 0.001 | 13.762 | 0.001 | 9.53 | 0.001 | 90 | null | 105.57 | 0.11 | 90 | null | 1,062.5 | 0.6 | 290 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C11 H13 N O Se - | - C11 H13 N O Se - | - C44 H52 N4 O4 Se4 - | 4 | 1 | PA1088 | Dupont, L.; Jacquemin, P. | 2,4,4-Trimethyl-2<i>H</i>-1,2-benzoselenazin-3(4<i>H</i>)-one | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1801 | 1802 | 10.1107/S0108270194001691 | 1.5418 | CuKα | null | 0.075 | null | null | 0.07 | null | null | null | null | 0.63 | 0.63 | null | null | null | has coordinates | Dupont, L.; Jacquemin, P.
2,4,4-Trimethyl-2<i>H</i>-1,2-benzoselenazin-3(4<i>H</i>)-one
Acta Crystallographica Section C
50(11)
(1994)
1801-1802 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,223 | 11.335 | 0.002 | 7.418 | 0.002 | 15.424 | 0.003 | 90 | null | 102.16 | 0.02 | 90 | null | 1,267.8 | 0.5 | 273 | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C13 H15 N5 - | - C13 H18 N5 - | - C52 H72 N20 - | 4 | 1 | PA1090 | Rodier, N.; Rideau, O.; Robert, J.-M.; Le Baut, G. | <i>N</i>^2^-(4,6-Diméthylpyrid-2-yl)-<i>N</i>^1^-méthylpyrazine-2-carboxamidine | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1760 | 1762 | 10.1107/S0108270194001411 | 0.7107 | MoKα | null | 0.041 | null | null | 0.039 | null | null | null | null | 1.239 | 1.239 | null | null | null | has coordinates | Rodier, N.; Rideau, O.; Robert, J.-M.; Le Baut, G.
<i>N</i>^2^-(4,6-Diméthylpyrid-2-yl)-<i>N</i>^1^-méthylpyrazine-2-carboxamidine
Acta Crystallographica Section C
50(11)
(1994)
1760-1762 | 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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2,010,224 | 19.573 | 0.006 | 7.333 | 0.002 | 27.31 | 0.006 | 90 | null | 103.78 | 0.02 | 90 | null | 3,807 | 1.8 | 273 | null | null | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C13 H16 Cl3 N3 O6 - | - C13 H16 Cl3 N3 O6 - | - C104 H128 Cl24 N24 O48 - | 8 | 1 | PA1092 | Rodier, N.; Belaissaoui, A.; Morpain, C.; Laude, B. | 3-Méthoxycarbonyl-5-éthoxycarbonyl-1-(2,2,2-trichloro-1-éthoxycarbonylaminoéthyl)pyrazole, C~13~H~16~Cl~3~N~3~O~6~ | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1762 | 1764 | 10.1107/S0108270194001526 | 0.71073 | MoKα | null | 0.041 | null | null | 0.044 | null | null | null | null | 1.353 | 1.353 | null | null | null | has coordinates | Rodier, N.; Belaissaoui, A.; Morpain, C.; Laude, B.
3-Méthoxycarbonyl-5-éthoxycarbonyl-1-(2,2,2-trichloro-1-éthoxycarbonylaminoéthyl)pyrazole, C~13~H~16~Cl~3~N~3~O~6~
Acta Crystallographica Section C
50(11)
(1994)
1762-1764 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,225 | 10.515 | 0.01 | 13.295 | 0.01 | 9.349 | 0.01 | 90 | null | 90 | null | 90 | null | 1,307 | 2 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P n m a | -P 2ac 2n | 62 | Dipyridiniomethane-Pentafluoroosmate(IV) | Dipyridiniomethane-Pentafluoroosmate(IV) | - C11 H12 Cl F5 N2 Os - | - C11 H12 Cl F5 N2 Os - | - C44 H48 Cl4 F20 N8 Os4 - | 4 | 0.5 | PA1129 | Bruhn, Clemens; Preetz, Wilhelm | Dipyridiniomethane chloropentafluoroosmate(IV), [(C~5~H~5~N)~2~CH~2~][OsF~5~Cl] | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1687 | 1690 | 10.1107/S0108270194006633 | 0.71069 | MoKα | 0.0225 | 0.0196 | null | 0.0508 | 0.0489 | null | null | null | 1.173 | 1.178 | 1.178 | null | null | null | has coordinates | Bruhn, Clemens; Preetz, Wilhelm
Dipyridiniomethane chloropentafluoroosmate(IV), [(C~5~H~5~N)~2~CH~2~][OsF~5~Cl]
Acta Crystallographica Section C
50(11)
(1994)
1687-1690 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
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2,010,226 | 10.358 | 0.001 | 10.358 | 0.001 | 10.358 | 0.001 | 90 | null | 90 | null | 90 | null | 1,111.29 | 0.19 | 200 | null | null | null | null | null | null | null | 4 | P a -3 | -P 2ac 2ab 3 | null | - C H N3 O6 - | - C H N3 O6 - | - C8 H8 N24 O48 - | 8 | 0.333333 | SE1040 | Schodel, H.; Dienelt, R.; Bock, H. | Trinitromethane | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1790 | 1792 | 10.1107/S0108270194002131 | 0.71073 | MoKα | null | 0.0317 | null | null | 0.0772 | null | null | null | null | 1.067 | 1.067 | null | null | null | has coordinates | Schodel, H.; Dienelt, R.; Bock, H.
Trinitromethane
Acta Crystallographica Section C
50(11)
(1994)
1790-1792 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,227 | 19.35 | 0.01 | 5.885 | 0.003 | 20.368 | 0.01 | 90 | null | 111.9 | 0.04 | 90 | null | 2,152 | 2 | 100 | null | null | null | null | null | null | null | 5 | P 1 21/a 1 | -P 2yab | null | - C20 H21 F9 N2 O2 - | - C20 H21 F9 N2 O2 - | - C80 H84 F36 N8 O8 - | 4 | 1 | SH1082 | Büchel, R.; Aebi, R.; Keese, R.; Venugopalan, P. | <i>rel</i>-(2<i>R</i>,5<i>R</i>)-1-Benzoyl-2-<i>tert</i>-butyl-3-methyl-5-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)imidazolidin-4-one at 100 K | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1803 | 1805 | 10.1107/S0108270194000132 | 0.71069 | MoKα | null | 0.052 | null | null | 0.065 | null | null | null | null | 1.826 | 1.826 | null | null | null | has coordinates | Büchel, R.; Aebi, R.; Keese, R.; Venugopalan, P.
<i>rel</i>-(2<i>R</i>,5<i>R</i>)-1-Benzoyl-2-<i>tert</i>-butyl-3-methyl-5-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)imidazolidin-4-one at 100 K
Acta Crystallographica Section C
50(11)
(1994)
1803-1805 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,228 | 5.011 | 0.0004 | 13.01 | 0.003 | 8.922 | 0.001 | 90 | null | 93.15 | 0.008 | 90 | null | 580.77 | 0.16 | 287 | 1 | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C10 H15 N3 O5 - | - C10 H15 N3 O5 - | - C20 H30 N6 O10 - | 2 | 1 | ST1089 | Li, J.; Kumar, S.V.P.; Stuart, A.L.; Delbaere, L.T.J.; Gupta, S.V. | Structure and conformation of 5-hydroxymethyl-2'-deoxycytidine, C~10~H~15~N~3~O~5~ | Acta Crystallographica Section C | 1,994 | 50 | 11 | 1837 | 1839 | 10.1107/S0108270194001472 | 1.5418 | CuKα | null | 0.03 | null | null | 0.036 | null | null | null | null | 3.274 | 3.274 | null | null | null | has coordinates | Li, J.; Kumar, S.V.P.; Stuart, A.L.; Delbaere, L.T.J.; Gupta, S.V.
Structure and conformation of 5-hydroxymethyl-2'-deoxycytidine, C~10~H~15~N~3~O~5~
Acta Crystallographica Section C
50(11)
(1994)
1837-1839 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,229 | 10.604 | 0.001 | 9.066 | 0.001 | 13.904 | 0.001 | 90 | null | 96.62 | 0.01 | 90 | null | 1,327.8 | 0.2 | 291 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | null | - C13 H11 N O3 S - | - C13 H11 N O3 S - | - C52 H44 N4 O12 S4 - | 4 | 1 | AB1102 | Hursthouse, M.B.; Ciechanowicz-Rutkowska, M.; Burgiel, M.; Zankowska-Jasińska, W. | 5-Acetyl-6-methyl-3-phenyl-4-thioxo-3,4-dihydro-2<i>H</i>-1,3-oxazin-2-one | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2001 | 2003 | 10.1107/S0108270194004993 | 0.71069 | MoKα | null | 0.037 | null | null | 0.039 | null | null | null | null | null | null | null | null | null | has coordinates | Hursthouse, M.B.; Ciechanowicz-Rutkowska, M.; Burgiel, M.; Zankowska-Jasińska, W.
5-Acetyl-6-methyl-3-phenyl-4-thioxo-3,4-dihydro-2<i>H</i>-1,3-oxazin-2-one
Acta Crystallographica Section C
50(12)
(1994)
2001-2003 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,230 | 25.543 | 0.004 | 6.5659 | 0.0008 | 8.6913 | 0.0012 | 90 | null | 93.663 | 0.011 | 90 | null | 1,454.7 | 0.4 | 122 | 0.5 | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C16 H19 N O3 - | - C16 H19 N O3 - | - C64 H76 N4 O12 - | 4 | 2 | AB1136 | Diego, H. Lopez de | (<i>R</i>,<i>S</i>)-1-Phenylethylammonium (<i>S</i>)-mandelate | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1995 | 1998 | 10.1107/S0108270194003884 | 1.5418 | CuKα | null | 0.0533 | null | null | 0.1487 | null | null | null | null | 1.059 | 1.059 | null | null | null | has coordinates | Diego, H. Lopez de
(<i>R</i>,<i>S</i>)-1-Phenylethylammonium (<i>S</i>)-mandelate
Acta Crystallographica Section C
50(12)
(1994)
1995-1998 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,231 | 10.113 | 0.002 | 10.546 | 0.002 | 8.618 | 0.001 | 105.64 | 0.02 | 102.1 | 0.02 | 113.63 | 0.02 | 756.5 | 0.3 | 296 | null | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C17 H16 O5 - | - C17 H16 O5 - | - C34 H32 O10 - | 2 | 1 | AB1137 | Stomberg, R.; Ibrahim, W.; Li, S.; Lundquist, K.; Westermark, U. | (<i>Z</i>)-2-(2-Methoxyphenoxy)-3-(4-methoxyphenyl)propenoic acid | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2019 | 2022 | 10.1107/S010827019400329X | 1.54178 | CuKα | null | 0.042 | null | null | 0.053 | null | null | null | null | 2.37 | 2.37 | null | null | null | has coordinates | Stomberg, R.; Ibrahim, W.; Li, S.; Lundquist, K.; Westermark, U.
(<i>Z</i>)-2-(2-Methoxyphenoxy)-3-(4-methoxyphenyl)propenoic acid
Acta Crystallographica Section C
50(12)
(1994)
2019-2022 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,232 | 11.057 | 0.003 | 12.937 | 0.002 | 13.639 | 0.004 | 90 | null | 90 | null | 90 | null | 1,951 | 0.8 | 296 | null | null | null | null | null | null | null | 4 | P n a 21 | P 2c -2n | 33 | - C15 H23 B10 P - | - C15 H23 B10 P - | - C60 H92 B40 P4 - | 4 | 1 | AB1140 | Kivekäs, R.; Sillanpää, R.; Teixidor, F.; Viñas, C.; Nuñez, R. | 1-Diphenylphosphino-2-methyl-1,2-dicarba-<i>closo</i>-dodecaborane(12) | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2027 | 2030 | 10.1107/S0108270194003306 | 0.71069 | MoKα | null | 0.048 | null | null | 0.047 | null | null | null | null | 1.39 | 1.39 | null | null | null | has coordinates | Kivekäs, R.; Sillanpää, R.; Teixidor, F.; Viñas, C.; Nuñez, R.
1-Diphenylphosphino-2-methyl-1,2-dicarba-<i>closo</i>-dodecaborane(12)
Acta Crystallographica Section C
50(12)
(1994)
2027-2030 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,010,233 | 25.058 | 0.004 | 25.058 | 0.004 | 13.585 | 0.002 | 90 | null | 90 | null | 120 | null | 7,387 | 2 | 293 | null | null | null | null | null | null | null | 6 | R 3 c :H | R 3 -2"c | 161 | - C8 H18 N4 O4 S2 Zn - | - C8 H18 N4 O4 S2 Zn - | - C144 H324 N72 O72 S36 Zn18 - | 18 | 1 | AB1149 | Smolander, K.; Ahlgrèn, M.; Melník, M.; Skorsepa, J.; Györyovà, K. | Monomeric (dipropionato-<i>O</i>)(dithiourea-<i>S</i>)zinc(II) | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1900 | 1902 | 10.1107/S0108270194004397 | 0.71073 | MoKα | null | 0.0292 | null | null | 0.0343 | null | null | null | null | 0.95 | 0.95 | null | null | null | has coordinates | Smolander, K.; Ahlgrèn, M.; Melník, M.; Skorsepa, J.; Györyovà, K.
Monomeric (dipropionato-<i>O</i>)(dithiourea-<i>S</i>)zinc(II)
Acta Crystallographica Section C
50(12)
(1994)
1900-1902 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,010,234 | 16.283 | 0.003 | 8.15 | 0.002 | 20.697 | 0.004 | 90 | null | 97.56 | 0.03 | 90 | null | 2,722.8 | 1 | 296 | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C17 H15 N3 - | - C17 H15 N3 - | - C136 H120 N24 - | 8 | 2 | AB1155 | Klinga, M.; Polamo, M.; Leskelä, M. | 2,6-Bis(phenylamino)pyridine | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2051 | 2054 | 10.1107/S0108270194005111 | 0.71073 | MoKα | null | 0.0542 | null | null | 0.0449 | null | null | null | null | 2.16 | 2.16 | null | null | null | has coordinates | Klinga, M.; Polamo, M.; Leskelä, M.
2,6-Bis(phenylamino)pyridine
Acta Crystallographica Section C
50(12)
(1994)
2051-2054 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,235 | 11.069 | 0.001 | 11.208 | 0.001 | 9.915 | 0.001 | 90 | null | 101.396 | 0.009 | 90 | null | 1,205.8 | 0.2 | 296 | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - C12 H16 O S2 - | - C12 H20 O2 S2 - | - C48 H80 O8 S8 - | 4 | 0.5 | AB1168 | Kivekäs, Raikko; Sillanpää, Reijo; Escriche, Lluis; Almajano, M. Pilar; Teixidor, Francesc; Casabó, Jaume | 6-Oxa-3,9-dithiabicyclo[9.4.0]pentadeca-1(11),12,14-triene | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2047 | 2049 | 10.1107/S0108270194008395 | 0.71069 | MoKα | null | 0.044 | null | null | 0.055 | null | null | null | null | 2.23 | 2.23 | null | null | null | has coordinates | Kivekäs, Raikko; Sillanpää, Reijo; Escriche, Lluis; Almajano, M. Pilar; Teixidor, Francesc; Casabó, Jaume
6-Oxa-3,9-dithiabicyclo[9.4.0]pentadeca-1(11),12,14-triene
Acta Crystallographica Section C
50(12)
(1994)
2047-2049 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,010,236 | 14.502 | 0.002 | 10.904 | 0.003 | 14.503 | 0.002 | 90 | null | 90.34 | 0.01 | 90 | null | 2,293.3 | 0.8 | 296 | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - C26 H26 O4 S2 - | - C26 H26 O4 S2 - | - C104 H104 O16 S8 - | 4 | 0.5 | AB1169 | Sillanpää, Reijo; Kivekäs, Raikko; Escriche, Lluis; Lucena, Natividad; Teixidor, Francesc; Casabó, Jaume | Diethyl 2,2'-[1,3-phenylenebis(methylthio)]dibenzoate | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2049 | 2051 | 10.1107/S0108270194008401 | 0.71069 | MoKα | null | 0.052 | null | null | 0.056 | null | null | null | null | 1.78 | 1.78 | null | null | null | has coordinates | Sillanpää, Reijo; Kivekäs, Raikko; Escriche, Lluis; Lucena, Natividad; Teixidor, Francesc; Casabó, Jaume
Diethyl 2,2'-[1,3-phenylenebis(methylthio)]dibenzoate
Acta Crystallographica Section C
50(12)
(1994)
2049-2051 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,237 | 10.793 | 0.002 | 8.168 | 0.002 | 11.289 | 0.002 | 90 | null | 91.3 | 0.03 | 90 | null | 995 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | N-Acetylandrost-4-ene-3-one[16,17-d]-3'-methylpyrazole | - C23 H30 N2 O3 - | - C23 H30 N2 O2 - | - C46 H60 N4 O4 - | 2 | 1 | AB1175 | Lindeman, Sergey V.; Yanovsky, Alexandr I.; Struchkov, Yurii T.; Huipe Nava, Ezequiel; Kamernitzky, Alexey V.; Skorova, Alina V.; Vesela, Irina V. | <i>N</i>^1^-Acetyl-3'-methylandrosta-4,16-dieno[16,17-<i>d</i>]pyrazole-3-one | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2054 | 2056 | 10.1107/S0108270194004737 | 0.71069 | MoKα | 0.0524 | 0.0513 | null | 0.1284 | 0.127 | null | null | null | 1.053 | 1.053 | 1.053 | null | null | null | has coordinates | Lindeman, Sergey V.; Yanovsky, Alexandr I.; Struchkov, Yurii T.; Huipe Nava, Ezequiel; Kamernitzky, Alexey V.; Skorova, Alina V.; Vesela, Irina V.
<i>N</i>^1^-Acetyl-3'-methylandrosta-4,16-dieno[16,17-<i>d</i>]pyrazole-3-one
Acta Crystallographica Section C
50(12)
(1994)
2054-2056 | 201,957 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $
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2,010,238 | 20.787 | 0.003 | 11.3823 | 0.0008 | 19.443 | 0.003 | 90 | null | 97.1 | 0.02 | 90 | null | 4,565 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | H~2~omtaa | 2,3,6,8,11,12,15,17-octamethyl-5,14-dihydro-5,9,14,18-tetraaza-dibenzo[a,h]- cyclotetradecene | - C26 H32 N4 - | - C26 H32 N4 - | - C208 H256 N32 - | 8 | 1 | AB1194 | Alcock, Nathaniel W.; Cannadine, Jason C.; Errington, William; Moore, Peter; Wallbridge, Malcolm G.H. | A dibenzotetraaza[14]annulene | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2037 | 2039 | 10.1107/S0108270194008206 | 0.71073 | MoKα | 0.0941 | 0.0404 | null | 0.0947 | 0.0749 | null | null | null | 0.771 | 1.012 | 1.012 | null | null | null | has coordinates | Alcock, Nathaniel W.; Cannadine, Jason C.; Errington, William; Moore, Peter; Wallbridge, Malcolm G.H.
A dibenzotetraaza[14]annulene
Acta Crystallographica Section C
50(12)
(1994)
2037-2039 | 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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2,010,239 | 14.36 | 0.002 | 13.369 | 0.002 | 12.905 | 0.002 | 90 | null | 99.95 | 0.01 | 90 | null | 2,440.2 | 0.6 | 293 | null | null | null | null | null | null | null | 5 | C 1 2 1 | C 2y | null | - C38 H60 N8 O8 S2 - | - C28.455 H52 N8 O8 S2 - | - C56.91 H104 N16 O16 S4 - | 2 | 0.5 | AS1088 | In, Y.; Doi, M.; Inoue, M.; Ishida, T. | Structure of ascidiacyclamide as the ethanol water solvate, a cytotoxic cyclic peptide from <i>Ascidian</i> | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2015 | 2017 | 10.1107/S0108270194000685 | 1.5418 | CuKα | null | 0.055 | null | null | 0.08 | null | null | null | null | 1.285 | 1.285 | null | null | null | has coordinates | In, Y.; Doi, M.; Inoue, M.; Ishida, T.
Structure of ascidiacyclamide as the ethanol water solvate, a cytotoxic cyclic peptide from <i>Ascidian</i>
Acta Crystallographica Section C
50(12)
(1994)
2015-2017 | 191,977 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-02-10 18:21:58 +0200 (Fri, 10 Feb 2017) $
#$Revision: 191977 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010239.cif $
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2,010,240 | 10.74 | 0.002 | 17.606 | 0.004 | 19.775 | 0.004 | 90 | null | 102.39 | 0.02 | 90 | null | 3,652.1 | 1.3 | 294 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C24 H50 Cl2 N12 O10 - | - C24 H42 Cl2 N12 O10 - | - C96 H168 Cl8 N48 O40 - | 4 | 1 | AS1097 | Hu, N.-H. | A hydroxide inclusion complex of a methylene-bridged tetrapyrimidinium macrocycle | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2082 | 2085 | 10.1107/S0108270194003483 | 0.71069 | MoKα | null | 0.078 | null | null | 0.086 | null | null | null | null | 3.36 | 3.36 | null | null | null | has coordinates | Hu, N.-H.
A hydroxide inclusion complex of a methylene-bridged tetrapyrimidinium macrocycle
Acta Crystallographica Section C
50(12)
(1994)
2082-2085 | 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/2/01/02/2010240.cif $
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2,010,241 | 13.559 | 0.003 | 5.936 | 0.003 | 16.339 | 0.003 | 90 | null | 107.8 | 0.02 | 90 | null | 1,252.1 | 0.7 | 296 | null | null | null | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | - C6 H16 Cl N5 O5 - | - C6 H16 Cl N5 O5 - | - C24 H64 Cl4 N20 O20 - | 4 | 2 | AS1098 | Okabe, N.; Kohyama, Y.; Ikeda, K.; Sunano, S. | <small>L</small>-Nitroarginine monohydrochloride monohydrate | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2041 | 2043 | 10.1107/S0108270194004208 | 0.71069 | MoKα | null | 0.056 | null | null | 0.057 | null | null | null | null | 1.59 | 1.59 | null | null | null | has coordinates | Okabe, N.; Kohyama, Y.; Ikeda, K.; Sunano, S.
<small>L</small>-Nitroarginine monohydrochloride monohydrate
Acta Crystallographica Section C
50(12)
(1994)
2041-2043 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$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/2/01/02/2010241.cif $
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2,010,242 | 22.46 | 0.01 | 10.051 | 0.001 | 13.096 | 0.006 | 90 | null | 90.65 | 0.03 | 90 | null | 2,956.2 | 1.9 | 297 | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - C13 H10 N4 O8 - | - C13 H10 N4 O8 - | - C104 H80 N32 O64 - | 8 | 1 | AS1101 | Lynch, D.E.; Smith, G.; Byriel, K.A.; Kennard, C.H.L. | Molecular co-crystals of carboxylic acids. 18. 1:1 Adduct of 1,3,5-trinitrobenzene with 4-aminobenzoic acid | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2079 | 2082 | 10.1107/S0108270194003835 | 0.71073 | MoKα | null | 0.049 | null | null | 0.043 | null | null | null | null | 2.05 | 2.05 | null | null | null | has coordinates | Lynch, D.E.; Smith, G.; Byriel, K.A.; Kennard, C.H.L.
Molecular co-crystals of carboxylic acids. 18. 1:1 Adduct of 1,3,5-trinitrobenzene with 4-aminobenzoic acid
Acta Crystallographica Section C
50(12)
(1994)
2079-2082 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,243 | 5.44 | 0.001 | 10.108 | 0.001 | 11.484 | 0.002 | 90 | null | 103.03 | 0.02 | 90 | null | 615.22 | 0.17 | 296 | null | null | null | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | - C7 H16 Cl N5 O4 - | - C7 H16 Cl N5 O4 - | - C14 H32 Cl2 N10 O8 - | 2 | 1 | AS1106 | Okabe, N.; Ikeda, K.; Kohyama, Y. | <i>N</i>^{η^}-Nitro-<small>L</small>-arginine methyl ester hydrochloride | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2088 | 2089 | 10.1107/S0108270194004609 | 0.71069 | MoKα | null | 0.048 | null | null | 0.052 | null | null | null | null | 1.58 | 1.58 | null | null | null | has coordinates | Okabe, N.; Ikeda, K.; Kohyama, Y.
<i>N</i>^{η^}-Nitro-<small>L</small>-arginine methyl ester hydrochloride
Acta Crystallographica Section C
50(12)
(1994)
2088-2089 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,244 | 13.554 | 0.002 | 11.766 | 0.002 | 6.148 | 0.0008 | 90 | null | 90 | null | 90 | null | 980.5 | 0.3 | 180 | null | null | null | null | null | null | null | 4 | P n m a | -P 2ac 2n | 62 | - C9 H20 B N - | - C9 H20 B N - | - C36 H80 B4 N4 - | 4 | 0.5 | AS1111 | Tham, W.-Y.; White, J.M. | 1-Azabicyclo[4.4.0]decane borine adduct | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2074 | 2076 | 10.1107/S0108270194005299 | 0.71069 | MoKα | null | 0.036 | null | null | 0.1 | null | null | null | null | 1.04 | 1.04 | null | null | null | has coordinates | Tham, W.-Y.; White, J.M.
1-Azabicyclo[4.4.0]decane borine adduct
Acta Crystallographica Section C
50(12)
(1994)
2074-2076 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,245 | 5.506 | 0.001 | 9.754 | 0.002 | 20.339 | 0.002 | 90 | null | 91.19 | 0.02 | 90 | null | 1,092.1 | 0.3 | 295 | null | null | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C14 H9 N3 - | - C14 H9 N3 - | - C56 H36 N12 - | 4 | 1 | AS1112 | Kakehi, A.; Kitajima, K.; Ito, S.; Takusagawa, N. | Structures of pyrazolo[1,5-<i>a</i>]pyridine derivatives | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1998 | 2000 | 10.1107/S0108270194004749 | 0.71069 | MoKα | null | 0.047 | null | null | 0.053 | null | null | null | null | 1.57 | 1.57 | null | null | null | has coordinates | Kakehi, A.; Kitajima, K.; Ito, S.; Takusagawa, N.
Structures of pyrazolo[1,5-<i>a</i>]pyridine derivatives
Acta Crystallographica Section C
50(12)
(1994)
1998-2000 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,246 | 16.94 | 0.002 | 5.68 | 0.001 | 17.388 | 0.001 | 90 | null | 115.88 | 0.006 | 90 | null | 1,505.3 | 0.3 | 293 | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C15 H11 Cl N2 O S2 - | - C15 H11 Cl N2 O S2 - | - C60 H44 Cl4 N8 O4 S8 - | 4 | 1 | AS1112 | Kakehi, A.; Kitajima, K.; Ito, S.; Takusagawa, N. | Structures of pyrazolo[1,5-<i>a</i>]pyridine derivatives | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1998 | 2000 | 10.1107/S0108270194004749 | 0.71069 | MoKα | null | 0.043 | null | null | 0.046 | null | null | null | null | 1.29 | 1.29 | null | null | null | has coordinates | Kakehi, A.; Kitajima, K.; Ito, S.; Takusagawa, N.
Structures of pyrazolo[1,5-<i>a</i>]pyridine derivatives
Acta Crystallographica Section C
50(12)
(1994)
1998-2000 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$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/2/01/02/2010246.cif $
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2,010,247 | 13.192 | 0.004 | 13.865 | 0.006 | 9.822 | 0.003 | 104.02 | 0.03 | 110.14 | 0.02 | 106.22 | 0.03 | 1,501.1 | 1.1 | 296 | null | null | null | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C42 H56 F24 N8 O8 P4 Re2 - | - C42 H56 F24 N8 O8 P4 Re2 - | - C42 H56 F24 N8 O8 P4 Re2 - | 1 | 0.5 | AS1122 | Takahira, T.; Umakoshi, K.; Sasaki, Y. | Di-μ-oxo-bis{[tris(2-pyridylmethyl)amine-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']rhenium(IV)} tetrakis(hexafluorophosphate) diacetone tetrahydrate | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1870 | 1872 | 10.1107/S0108270194008267 | 0.71069 | MoKα | null | 0.045 | null | null | 0.051 | null | null | null | null | 1.73 | 1.73 | null | null | null | has coordinates | Takahira, T.; Umakoshi, K.; Sasaki, Y.
Di-μ-oxo-bis{[tris(2-pyridylmethyl)amine-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']rhenium(IV)} tetrakis(hexafluorophosphate) diacetone tetrahydrate
Acta Crystallographica Section C
50(12)
(1994)
1870-1872 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,248 | 8.938 | 0.001 | 10.207 | 0.002 | 7.788 | 0.001 | 90 | null | 90 | null | 90 | null | 710.5 | 0.18 | 293 | null | 293 | null | null | null | null | null | 4 | P c a 21 | P 2c -2ac | 29 | DL-valine NCA | N-carboxy-DL-valine anhydride | - C6 H9 N O3 - | - C6 H9 N O3 - | - C24 H36 N4 O12 - | 4 | 1 | AS1125 | Takenaka, Yasuyuki; Ohashi, Yuji; Kanazawa, Hitoshi | <small>DL</small>-Valine NCA | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1950 | 1952 | 10.1107/S0108270194007067 | 1.5418 | CuKα | null | 0.069 | null | null | 0.113 | null | null | null | null | 1.084 | 1.084 | null | null | null | has coordinates | Takenaka, Yasuyuki; Ohashi, Yuji; Kanazawa, Hitoshi
<small>DL</small>-Valine NCA
Acta Crystallographica Section C
50(12)
(1994)
1950-1952 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,249 | 9.674 | 0.002 | 21.597 | 0.006 | 19.174 | 0.002 | 90 | null | 98.84 | 0.01 | 90 | null | 3,958.4 | 1.4 | 293 | null | 23 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C21 H21 Au Cl P - | - C21 H21 Au Cl P - | - C168 H168 Au8 Cl8 P8 - | 8 | 2 | AS1129 | Cookson, P. D.; Tiekink, E. R. T. | Chloro[tri(<i>p</i>-tolyl)phosphine]gold(I) | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1896 | 1898 | 10.1107/S0108270194007821 | 0.7107 | MoKα | null | 0.036 | null | null | 0.029 | null | null | null | null | 1.34 | 1.34 | null | null | null | has coordinates | Cookson, P. D.; Tiekink, E. R. T.
Chloro[tri(<i>p</i>-tolyl)phosphine]gold(I)
Acta Crystallographica Section C
50(12)
(1994)
1896-1898 | 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/2/01/02/2010249.cif $
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2,010,250 | 20.908 | 0.008 | 13.088 | 0.004 | 12.884 | 0.004 | 102.65 | 0.02 | 95.94 | 0.03 | 77.05 | 0.03 | 3,347 | 2 | 150 | null | 150 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | Octasodium Hydrogen Decatungstogadolinate Triacontahydrate | - Gd H61 Na8 O66 W10 - | - Gd Na8 O66 W10 - | - Gd2 Na16 O132 W20 - | 2 | 1 | AS1132 | Yamase, Toshihiro; Ozeki, Tomoji; Tosaka, Minoru | Octasodium hydrogen decatungstogadolinate triacontahydrate | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1849 | 1852 | 10.1107/S0108270194008255 | 0.71069 | MoKα | null | 0.065 | null | null | 0.086 | null | null | null | null | 1.72 | 1.72 | null | null | null | has coordinates | Yamase, Toshihiro; Ozeki, Tomoji; Tosaka, Minoru
Octasodium hydrogen decatungstogadolinate triacontahydrate
Acta Crystallographica Section C
50(12)
(1994)
1849-1852 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,010,251 | 9.829 | 0.003 | 11.632 | 0.004 | 14.482 | 0.003 | 90 | null | 90 | null | 90 | null | 1,655.7 | 0.8 | 293 | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | null | - C18 H20 O4 S - | - C18 H20 O4 S - | - C72 H80 O16 S4 - | 4 | 1 | BK1020 | Soriano-Garcia, M.; Rodriguez-Romero, A.; Villena, R.; Yuste, F. | (3<i>S</i>,3a<i>R</i>,4<i>R</i>,7<i>S</i>,7a<i>S</i>,S<i>S</i>)-3-Ethoxy-3a,4,7,7a-tetrahydro-4,7-methano-7a-<i>p</i>-tolysulfinyl-1(3<i>H</i>)-isobenzofuranone | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2093 | 2094 | 10.1107/S0108270194004762 | 1.5418 | CuKα | null | 0.039 | null | null | 0.058 | null | null | null | null | 2.49 | 2.49 | null | null | null | has coordinates | Soriano-Garcia, M.; Rodriguez-Romero, A.; Villena, R.; Yuste, F.
(3<i>S</i>,3a<i>R</i>,4<i>R</i>,7<i>S</i>,7a<i>S</i>,S<i>S</i>)-3-Ethoxy-3a,4,7,7a-tetrahydro-4,7-methano-7a-<i>p</i>-tolysulfinyl-1(3<i>H</i>)-isobenzofuranone
Acta Crystallographica Section C
50(12)
(1994)
2093-2094 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,252 | 12.125 | 0.002 | 7.593 | 0.002 | 15.216 | 0.003 | 90 | null | 112.86 | 0.03 | 90 | null | 1,290.8 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | Dichloro[6-methyl-2-N'-(2'-pyridylmethyl)pyridine-N,N']copper(II) | - C12 H12 Cl2 Cu N2 - | - C12 H12 Cl2 Cu N2 - | - C48 H48 Cl8 Cu4 N8 - | 4 | 1 | BK1029 | Garcia, A. M.; Manzur, J.; Spodine, E.; Baggio, R. F.; Garland, M. T. | Dichloro[6-methyl-2-(2-pyridylmethyl)pyridine-<i>N</i>,<i>N</i>']copper(II) | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1882 | 1884 | 10.1107/S010827019400716X | 0.71073 | MoKα | 0.0598 | 0.0476 | null | 0.1229 | 0.1137 | null | null | null | 1.123 | 1.163 | 1.163 | null | null | null | has coordinates | Garcia, A. M.; Manzur, J.; Spodine, E.; Baggio, R. F.; Garland, M. T.
Dichloro[6-methyl-2-(2-pyridylmethyl)pyridine-<i>N</i>,<i>N</i>']copper(II)
Acta Crystallographica Section C
50(12)
(1994)
1882-1884 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,253 | 11.978 | 0.001 | 13.2165 | 0.0008 | 10.375 | 0.002 | 106.387 | 0.008 | 106.95 | 0.01 | 75.253 | 0.006 | 1,480.5 | 0.3 | 294 | null | 294.2 | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | Tris[2-(5'-bromo-2'-hydroxyphenyl)-2-oxazolinato]aluminum(III) methanol solvate | - C28 H25 Al Br3 N3 O7 - | - C28 H25 Al Br3 N3 O7 - | - C56 H50 Al2 Br6 N6 O14 - | 2 | 1 | BK1052 | Hoveyda, H. R.; Orvig, Chris; Rettig, Steven J. | <i>mer</i>-Tris[2-(5-bromo-2-hydroxyphenyl)-2-oxazolinato]aluminium(III) methanol solvate | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1906 | 1909 | 10.1107/S0108270194007729 | 1.5418 | CuKα | null | 0.039 | null | null | 0.056 | null | null | null | null | 3.46 | 3.46 | null | null | null | has coordinates | Hoveyda, H. R.; Orvig, Chris; Rettig, Steven J.
<i>mer</i>-Tris[2-(5-bromo-2-hydroxyphenyl)-2-oxazolinato]aluminium(III) methanol solvate
Acta Crystallographica Section C
50(12)
(1994)
1906-1909 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,254 | 31.998 | 0.008 | 10.1595 | 0.0011 | 20.373 | 0.003 | 90 | null | 111.557 | 0.017 | 90 | null | 6,160 | 2 | 293 | null | 293 | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | Spiro [2,2,3,3-tetrakis (3,5-dimethylpyrazolyl)cyclotriphosphazene - 1-phospha-2,5- diazacyclohexane] | - C23 H36 N13 P3 - | - C23 H36 N13 P3 - | - C184 H288 N104 P24 - | 8 | 1 | BK1057 | Cordes, A.W.; Folkert, S.; Bryan, C.D.; Chandrasekhar, V.; Thomas, K.R.J. | 2,2,4,4-Tetrakis(3,5-dimethylpyrazol-1-yl)-2λ^5^,4λ^5^,6λ^5^-cyclotriphosphaza-1,3,5-triene-6-spiro-2'-1',3'-diaza-2'-phosphacyclohexane, C~23~H~36~N~13~P~3~ | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1976 | 1978 | 10.1107/S0108270194007006 | 0.7093 | MoKα | 0.135 | 0.052 | null | 0.092 | 0.073 | null | null | null | null | 1.15 | 1.15 | null | null | null | has coordinates | Cordes, A.W.; Folkert, S.; Bryan, C.D.; Chandrasekhar, V.; Thomas, K.R.J.
2,2,4,4-Tetrakis(3,5-dimethylpyrazol-1-yl)-2λ^5^,4λ^5^,6λ^5^-cyclotriphosphaza-1,3,5-triene-6-spiro-2'-1',3'-diaza-2'-phosphacyclohexane, C~23~H~36~N~13~P~3~
Acta Crystallographica Section C
50(12)
(1994)
1976-1978 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,255 | 7.341 | 0.001 | 7.722 | 0.002 | 6.024 | 0.001 | 110.47 | 0.02 | 102.64 | 0.02 | 104.87 | 0.02 | 290.7 | 0.13 | 296 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C H7 N5 O3 - | - C H7 N5 O3 - | - C2 H14 N10 O6 - | 2 | 1 | BK1062 | Akella, Annapoorna; Keszler, Douglas A. | Aminoguanidinium nitrate | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1974 | 1976 | 10.1107/S0108270194007730 | 0.71073 | MoKα | null | 0.044 | null | null | 0.054 | null | null | null | null | 1.44 | 1.44 | null | null | null | has coordinates | Akella, Annapoorna; Keszler, Douglas A.
Aminoguanidinium nitrate
Acta Crystallographica Section C
50(12)
(1994)
1974-1976 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,256 | 8.405 | 0.002 | 12.846 | 0.003 | 13.739 | 0.004 | 114.45 | 0.02 | 90.53 | 0.02 | 83.14 | 0.03 | 1,339.4 | 0.6 | 294 | 1 | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C21 H24 Mo2 N4 O10 S2 - | - C21 H24 Mo2 N4 O10 S2 - | - C42 H48 Mo4 N8 O20 S4 - | 2 | 1 | BR1062 | Wang, X.; Zhang, X.-M.; Liu, H.-X. | Allomorphs of a complex of [Mo(O)~2~(dmso)] with a derivative of SADH | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1878 | 1880 | 10.1107/S0108270194003987 | 1.5418 | CuKα | null | 0.043 | null | null | 0.05 | null | null | null | null | 2.16 | 2.16 | null | null | null | has coordinates | Wang, X.; Zhang, X.-M.; Liu, H.-X.
Allomorphs of a complex of [Mo(O)~2~(dmso)] with a derivative of SADH
Acta Crystallographica Section C
50(12)
(1994)
1878-1880 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,257 | 4.8217 | 0.0008 | 4.8217 | 0.0008 | 15.438 | 0.001 | 90 | null | 90 | null | 120 | null | 310.83 | 0.08 | 296 | null | null | null | null | null | null | null | 3 | R -3 c :H | -R 3 2"c | 167 | - B In O3 - | - B In O3 - | - B6 In6 O18 - | 6 | 0.166667 | BR1064 | Cox, J.R.; Keszler, D.A. | InBO~3~ | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1857 | 1859 | 10.1107/S0108270194003999 | 0.71069 | MoKα | null | 0.02 | null | null | 0.024 | null | null | null | null | 1.48 | 1.48 | null | null | null | has coordinates | Cox, J.R.; Keszler, D.A.
InBO~3~
Acta Crystallographica Section C
50(12)
(1994)
1857-1859 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,010,258 | 12.355 | 0.005 | 8.025 | 0.003 | 6.298 | 0.002 | 90 | null | 90 | null | 90 | null | 624.4 | 0.4 | 300 | null | null | null | null | null | null | null | 3 | P n m a | -P 2ac 2n | 62 | - N O3 Tl - | - N O3 Tl - | - N8 O24 Tl8 - | 8 | 1 | BR1066 | Sastry, P.U.M.; Rajagopal, H.; Sequiera, A. | Thallous nitrate (III): a single-crystal neutron study | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1854 | 1857 | 10.1107/S0108270194005469 | neutron | 1.216 | neutron | null | 0.0165 | null | null | 0.039 | null | null | null | null | 1.473 | 1.473 | null | null | null | has coordinates | Sastry, P.U.M.; Rajagopal, H.; Sequiera, A.
Thallous nitrate (III): a single-crystal neutron study
Acta Crystallographica Section C
50(12)
(1994)
1854-1857 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,259 | 12.454 | 0.01 | 12.454 | 0.01 | 18.066 | 0.011 | 90 | null | 90 | null | 90 | null | 2,802 | 4 | 130 | null | null | null | null | null | null | null | 2 | I 4/m m m | -I 4 2 | 139 | - Sb10 Sr11 - | - Sb10 Sr11 - | - Sb40 Sr44 - | 4 | 0.125 | BR1073 | Rehr, A.; Kauzlarich, S.M. | Sr~11~Sb~10~ | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1859 | 1861 | 10.1107/S0108270194003951 | 0.71073 | MoKα | null | 0.0799 | null | null | 0.0886 | null | null | null | null | 1.31 | 1.31 | null | null | null | has coordinates | Rehr, A.; Kauzlarich, S.M.
Sr~11~Sb~10~
Acta Crystallographica Section C
50(12)
(1994)
1859-1861 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,260 | 9.01 | 0.002 | 9.01 | 0.002 | 6.779 | 0.002 | 90 | null | 90 | null | 90 | null | 550.3 | 0.2 | 293 | 1 | null | null | null | null | null | null | 5 | I -4 2 m | I -4 2 | 121 | - B2 Ba0.265 Cu2 O6 Sr0.735 - | - B2 Ba Cu2 O6 Sr - | - B8 Ba4 Cu8 O24 Sr4 - | 4 | 0.25 | BR1074 | Norrestam, R.; Carlson, S.; Sjödin, A. | Sr~0.735~Ba~0.265~Cu~2~(BO~3~)~2~ and Sr~0.661~Ca~0.339~Cu~2~(BO~3~)~2~ | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1847 | 1849 | 10.1107/S0108270194007419 | 0.71073 | MoKα | null | 0.027 | null | null | 0.035 | null | null | null | null | 1 | 1 | null | null | null | has coordinates | Norrestam, R.; Carlson, S.; Sjödin, A.
Sr~0.735~Ba~0.265~Cu~2~(BO~3~)~2~ and Sr~0.661~Ca~0.339~Cu~2~(BO~3~)~2~
Acta Crystallographica Section C
50(12)
(1994)
1847-1849 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
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2,010,261 | 8.9692 | 0.0009 | 8.9692 | 0.0009 | 6.54 | 0.001 | 90 | null | 90 | null | 90 | null | 526.12 | 0.11 | 293 | 1 | null | null | null | null | null | null | 5 | I -4 2 m | I -4 2 | 121 | - B2 Ca0.339 Cu2 O6 Sr0.661 - | - B2 Ca Cu2 O6 Sr - | - B8 Ca4 Cu8 O24 Sr4 - | 4 | 0.25 | BR1074 | Norrestam, R.; Carlson, S.; Sjödin, A. | Sr~0.735~Ba~0.265~Cu~2~(BO~3~)~2~ and Sr~0.661~Ca~0.339~Cu~2~(BO~3~)~2~ | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1847 | 1849 | 10.1107/S0108270194007419 | 0.71073 | MoKα | null | 0.024 | null | null | 0.03 | null | null | null | null | 1.27 | 1.27 | null | null | null | has coordinates | Norrestam, R.; Carlson, S.; Sjödin, A.
Sr~0.735~Ba~0.265~Cu~2~(BO~3~)~2~ and Sr~0.661~Ca~0.339~Cu~2~(BO~3~)~2~
Acta Crystallographica Section C
50(12)
(1994)
1847-1849 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
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2,010,262 | 7.2796 | 0.0007 | 15.755 | 0.002 | 9.834 | 0.001 | 90 | null | 91.087 | 0.009 | 90 | null | 1,127.7 | 0.2 | 298 | null | 23 | null | null | null | null | null | 5 | P 1 21/a 1 | -P 2yab | 14 | - C12 H10 F3 N O2 - | - C12 H10 F3 N O2 - | - C48 H40 F12 N4 O8 - | 4 | 1 | CD1035 | Jasinski, Jerry P.; Paight, Ernest S. | 7-Dimethylamino-4-trifluoromethylcoumarin, a new polymeric form | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1928 | 1930 | 10.1107/S0108270194003616 | 0.7107 | MoKα | null | 0.0445 | null | null | 0.0654 | null | null | null | null | 2.888 | 2.888 | null | null | null | has coordinates | Jasinski, Jerry P.; Paight, Ernest S.
7-Dimethylamino-4-trifluoromethylcoumarin, a new polymeric form
Acta Crystallographica Section C
50(12)
(1994)
1928-1930 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,263 | 7.734 | 0.004 | 5.729 | 0.003 | 8.933 | 0.005 | 90 | null | 106.72 | 0.04 | 90 | null | 379.1 | 0.4 | 173 | null | null | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | null | - C8 H6 S2 - | - C8 H6 S2 - | - C16 H12 S4 - | 2 | 0.5 | CD1056 | Pelletier, M.; Brisse, F. | Bithiophene at 133 K | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1942 | 1945 | 10.1107/S010827019301011X | 0.710688 | MoKᾱ | null | 0.046 | null | null | 0.064 | null | null | null | null | 3.147 | 3.147 | null | null | null | has coordinates | Pelletier, M.; Brisse, F.
Bithiophene at 133 K
Acta Crystallographica Section C
50(12)
(1994)
1942-1945 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,264 | 6.5687 | 0.0007 | 12.802 | 0.002 | 20.219 | 0.002 | 90 | null | 97.26 | 0.01 | 90 | null | 1,686.6 | 0.4 | 293 | null | 293 | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | Bis(methylethylenedithio)tetrathiafulvalene | - C12 H12 S8 - | - C13 H18 S8 - | - C52 H72 S32 - | 4 | 1 | CR1087 | Swaminathan, K.; Carroll, Patrick J.; Singh, Jai D.; Singh, Harkesh B. | Bis(methylethylenedithio)tetrathiafulvalene | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1958 | 1960 | 10.1107/S0108270194004142 | 1.5418 | CopperKα | null | 0.0738 | null | null | null | null | null | null | null | 1.5576 | 1.5576 | null | null | null | has coordinates | Swaminathan, K.; Carroll, Patrick J.; Singh, Jai D.; Singh, Harkesh B.
Bis(methylethylenedithio)tetrathiafulvalene
Acta Crystallographica Section C
50(12)
(1994)
1958-1960 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,265 | 10.994 | 0.002 | 19.464 | 0.004 | 13.417 | 0.001 | 90 | null | 109.4 | 0.01 | 90 | null | 2,708.1 | 0.8 | 220 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C28 H32 O4 S3 - | - C37 H48 O5 S3 - | - C148 H192 O20 S12 - | 4 | 1 | CR1100 | Pang, L.; Brisse, F. | Tris(5-acetyl-3-thienyl)methane‒cyclononanone (1/1) inclusion compound | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1947 | 1950 | 10.1107/S0108270194002489 | 1.54056 | CuKα | null | 0.055 | null | null | 0.059 | null | null | null | null | 2.44 | 2.44 | null | null | null | has coordinates | Pang, L.; Brisse, F.
Tris(5-acetyl-3-thienyl)methane‒cyclononanone (1/1) inclusion compound
Acta Crystallographica Section C
50(12)
(1994)
1947-1950 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
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2,010,266 | 11.828 | 0.002 | 10.284 | 0.002 | 11.79 | 0.002 | 90 | null | 118.3 | 0.3 | 90 | null | 1,263 | 4 | 297 | null | null | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | null | - C14 H20 O2 - | - C14 H20 O2 - | - C56 H80 O8 - | 4 | 1 | CR1103 | Díaz, E.; Fuentes Benitez, A.F.; Villafranca, E.V.; Jankowski, C.K. | 3-Methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)-2(5<i>H</i>)-furanone | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2030 | 2032 | 10.1107/S0108270194003501 | 1.5418 | CuKα | null | 0.081 | null | null | 0.081 | null | null | null | null | 1.14 | 1.14 | null | null | null | has coordinates | Díaz, E.; Fuentes Benitez, A.F.; Villafranca, E.V.; Jankowski, C.K.
3-Methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)-2(5<i>H</i>)-furanone
Acta Crystallographica Section C
50(12)
(1994)
2030-2032 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,267 | 10.292 | 0.002 | 11.219 | 0.001 | 12.481 | 0.002 | 90 | null | 100.38 | 0.02 | 90 | null | 1,417.5 | 0.4 | 295 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C11 H12 N4 O8 - | - C11 H12 N4 O8 - | - C44 H48 N16 O32 - | 4 | 1 | CR1106 | Sommerer, S.O.; Westcott, B.L.; Friebe, T.L.; Abboud, K.A. | Di(2-pyridinio)methanediol dinitrate | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2013 | 2015 | 10.1107/S0108270194004488 | 0.71073 | MoKα | null | 0.0481 | null | null | 0.0617 | null | null | null | null | 2.03 | 2.03 | null | null | null | has coordinates | Sommerer, S.O.; Westcott, B.L.; Friebe, T.L.; Abboud, K.A.
Di(2-pyridinio)methanediol dinitrate
Acta Crystallographica Section C
50(12)
(1994)
2013-2015 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,268 | 11.341 | 0.004 | 15.692 | 0.006 | 8.479 | 0.003 | 90 | null | 90 | null | 90 | null | 1,508.9 | 0.9 | 295 | null | null | null | null | null | null | null | 5 | P n a 21 | P 2c -2n | 33 | - C14 H22 Br N O3 - | - C14 H22 Br N O3 - | - C56 H88 Br4 N4 O12 - | 4 | 1 | CR1117 | Garcia, J.G.; Fronzek, F.R.; Gandour, R.D. | Two dimethylmorpholinium bromides | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2022 | 2025 | 10.1107/S0108270194004518 | 0.71073 | MoKα | null | 0.0464 | null | null | 0.0468 | null | null | null | null | 2.176 | 2.176 | null | null | null | has coordinates | Garcia, J.G.; Fronzek, F.R.; Gandour, R.D.
Two dimethylmorpholinium bromides
Acta Crystallographica Section C
50(12)
(1994)
2022-2025 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,269 | 8.451 | 0.003 | 13.535 | 0.002 | 12.915 | 0.002 | 90 | null | 93.38 | 0.02 | 90 | null | 1,474.7 | 0.6 | 298 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C13 H22 Br N O3 - | - C13 H22 Br N O3 - | - C52 H88 Br4 N4 O12 - | 4 | 1 | CR1117 | Garcia, J.G.; Fronzek, F.R.; Gandour, R.D. | Two dimethylmorpholinium bromides | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2022 | 2025 | 10.1107/S0108270194004518 | 0.71073 | MoKα | null | 0.044 | null | null | 0.033 | null | null | null | null | 1.388 | 1.388 | null | null | null | has coordinates | Garcia, J.G.; Fronzek, F.R.; Gandour, R.D.
Two dimethylmorpholinium bromides
Acta Crystallographica Section C
50(12)
(1994)
2022-2025 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,270 | 9.477 | 0.002 | 21.712 | 0.004 | 12.683 | 0.003 | 90 | null | 94.43 | 0.03 | 90 | null | 2,601.9 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | tetra(phenyl trimethylammonium) decabromohexacuprate(I) | - C18 H28 Br5 Cu3 N2 - | - C18 H28 Br5 Cu3 N2 - | - C72 H112 Br20 Cu12 N8 - | 4 | 1 | CR1121 | Hu, Guozhi; Holt, Elizabeth M. | Tetrakis(trimethylphenylammonium)octa-μ-bromo-dibromohexacuprate(I) | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1890 | 1892 | 10.1107/S0108270194008450 | 0.71073 | MoKα | 0.1469 | 0.0582 | null | 0.168 | 0.1335 | null | null | null | 0.736 | 0.939 | 0.939 | null | null | null | has coordinates,has disorder | Hu, Guozhi; Holt, Elizabeth M.
Tetrakis(trimethylphenylammonium)octa-μ-bromo-dibromohexacuprate(I)
Acta Crystallographica Section C
50(12)
(1994)
1890-1892 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
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2,010,271 | 19.132 | 0.002 | 6.717 | 0.001 | 3.891 | 0.002 | 90 | null | 90 | null | 90 | null | 500 | 0.3 | 296 | null | 296 | null | null | null | null | null | 4 | P n a 21 | P 2c -2n | 33 | 1-methylurazole | 1-methyl-1,2,4-triazolidine-3,5-dione | - C3 H5 N3 O2 - | - C3 H5 N3 O2 - | - C12 H20 N12 O8 - | 4 | 1 | CR1122 | Meyers, Cal Y.; Lutfi, Hisham G.; Kolb, Vera M.; Robinson, Paul D. | Racemic 1-methyl-1,2,4-triazolidine-3,5-dione (1-methylurazole). Definitive characterization of pyramidal hydrazide N atoms and racemate intermolecular hydrogen bonding | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1925 | 1928 | 10.1107/S010827019400449X | 0.71069 | MoKα | null | 0.026 | null | null | 0.032 | null | null | null | null | 1.47 | 1.47 | null | null | null | has coordinates | Meyers, Cal Y.; Lutfi, Hisham G.; Kolb, Vera M.; Robinson, Paul D.
Racemic 1-methyl-1,2,4-triazolidine-3,5-dione (1-methylurazole). Definitive characterization of pyramidal hydrazide N atoms and racemate intermolecular hydrogen bonding
Acta Crystallographica Section C
50(12)
(1994)
1925-1928 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,272 | 18.316 | 0.001 | 8.27 | 0.001 | 7.438 | 0.001 | 90 | null | 92.358 | 0.003 | 90 | null | 1,125.7 | 0.2 | 298 | null | 298 | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | 2,6-bis(dimethylamino)-3,5-diformylpyridine | - C11 H15 N3 O2 - | - C11 H15 N3 O2 - | - C44 H60 N12 O8 - | 4 | 0.5 | CR1129 | Lai, Long-Li; Liu, Ling-Kang; Shiao, Ming-Jen; Wen, Yuh-Sheng | 2,6-Bis(dimethylamino)-3,5-pyridine-dicarbaldehyde | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1931 | 1933 | 10.1107/S0108270194005652 | 0.7093 | MoKα | 0.042 | 0.033 | null | 0.042 | 0.041 | null | null | null | null | 2.28 | 2.28 | null | null | null | has coordinates | Lai, Long-Li; Liu, Ling-Kang; Shiao, Ming-Jen; Wen, Yuh-Sheng
2,6-Bis(dimethylamino)-3,5-pyridine-dicarbaldehyde
Acta Crystallographica Section C
50(12)
(1994)
1931-1933 | 208,362 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-06-14 06:45:12 +0300 (Thu, 14 Jun 2018) $
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2,010,273 | 12.947 | 0.001 | 7.385 | 0.001 | 17.817 | 0.001 | 90 | null | 95.965 | 0.008 | 90 | null | 1,694.3 | 0.3 | 296.2 | null | 296.2 | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C20 H30 O3 - | - C20 H30 O3 - | - C80 H120 O12 - | 4 | 1 | CR1137 | M. Gary Newton; Richard K. Hill | A C~20~ 2:3 formaldehyde–cyclohexanone adduct | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1969 | 1971 | 10.1107/S0108270194005743 | 1.5418 | CuKα | null | 0.048 | null | null | 0.056 | null | null | null | null | 4.16 | 4.16 | null | null | null | has coordinates | M. Gary Newton; Richard K. Hill
A C~20~ 2:3 formaldehyde–cyclohexanone adduct
Acta Crystallographica Section C
50(12)
(1994)
1969-1971 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,274 | 12.572 | 0.003 | 14.442 | 0.003 | 7.916 | 0.001 | 90 | null | 94.46 | 0.01 | 90 | null | 1,432.9 | 0.5 | 223 | null | null | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 3,5'-diallyl-2',4-dihydroxybiphenyl | - C18 H18 O2 - | - C18 H18 O2 - | - C72 H72 O8 - | 4 | 1 | CR1143 | Michael J. Fullmer; R. Curtis Haltiwanger; Nelson Troupe; Drake S. Eggleston | Honokiol | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1966 | 1967 | 10.1107/S0108270194005664 | 0.71073 | MoKα | null | 0.041 | null | null | 0.049 | null | null | null | null | 1.531 | 1.531 | null | null | null | has coordinates | Michael J. Fullmer; R. Curtis Haltiwanger; Nelson Troupe; Drake S. Eggleston
Honokiol
Acta Crystallographica Section C
50(12)
(1994)
1966-1967 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,275 | 11.288 | 0.007 | 11.288 | 0.007 | 8.013 | 0.002 | 90 | null | 90 | null | 120 | null | 884.2 | 0.8 | 298 | null | null | null | null | null | null | null | 4 | P 63 m c | P 6c -2c | 186 | - Cl In K6 Te4 - | - Cl In K6 Te4 - | - Cl2 In2 K12 Te8 - | 2 | 0.166667 | DU1081 | Sportouch, S.; Belin, C.; Tillard-Charbonnel, M. | K~5~InTe~4~.KCl | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1861 | 1862 | 10.1107/S0108270194006141 | 0.7107 | MoKα | null | 0.0181 | null | null | 0.0227 | null | null | null | null | 0.912 | 0.912 | null | null | null | has coordinates | Sportouch, S.; Belin, C.; Tillard-Charbonnel, M.
K~5~InTe~4~.KCl
Acta Crystallographica Section C
50(12)
(1994)
1861-1862 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,010,276 | 9.973 | 0.002 | 10.18 | 0.002 | 10.012 | 0.001 | 90 | null | 97.7 | 0.01 | 90 | null | 1,007.2 | 0.5 | 274 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - Mo2 O11 P2 Rb2 - | - Mo2 O11 P2 Rb2.5 - | - Mo8 O44 P8 Rb10 - | 4 | 1 | Guesdon, A.; Leclaire, A.; Borel, M.M.; Grandin, A.; Raveau, B. | An Mo^V^ Monophosphate, Rb~2~Mo~2~P~2~O~11~ | Acta Crystallographica Section C | 1,994 | 50 | 1852 | 1854 | null | null | 0.041 | null | null | 0.046 | null | null | null | null | null | null | null | 1,001,613 | null | has coordinates | Guesdon, A.; Leclaire, A.; Borel, M.M.; Grandin, A.; Raveau, B.
An Mo^V^ Monophosphate, Rb~2~Mo~2~P~2~O~11~
Acta Crystallographica Section C
50
(1994)
1852-1854 | 287,519 | 2023-11-10 | 19:29:21 | #------------------------------------------------------------------------------
#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
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2,010,277 | 5.9478 | 0.0005 | 6.7797 | 0.0003 | 24.3482 | 0.0011 | 90 | null | 90 | null | 90 | null | 981.82 | 0.1 | 293 | null | 293 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | Trans-1-methyl-3-amino-4-phenyl-2-azetidinone | - C10 H12 N2 O - | - C10 H12 N2 O - | - C40 H48 N8 O4 - | 4 | 1 | FG1021 | Spek, Anthony L.; Steen, Fred H. van der; Jastrzebski, Johann T.B.H.; Koten, Gerard van | <i>trans</i>-3-Amino-1-methyl-4-phenyl-2-azetidinone, C~10~H~12~N~2~O | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1933 | 1935 | 10.1107/S0108270194007675 | 0.71073 | MoKα | null | 0.0391 | null | 0.0971 | 0.0971 | null | null | null | 1.03 | 1.03 | 1.03 | null | null | null | has coordinates | Spek, Anthony L.; Steen, Fred H. van der; Jastrzebski, Johann T.B.H.; Koten, Gerard van
<i>trans</i>-3-Amino-1-methyl-4-phenyl-2-azetidinone, C~10~H~12~N~2~O
Acta Crystallographica Section C
50(12)
(1994)
1933-1935 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,278 | 9.108 | 0.001 | 11.405 | 0.002 | 17.482 | 0.002 | 90 | null | 102.8 | 0.1 | 90 | null | 1,770.8 | 0.8 | 293 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | null | - C21 H23 N O2 - | - C21 H23 N O2 - | - C84 H92 N4 O8 - | 4 | 1 | HA1062 | Sivaraman, J.; Subramanian, K.; Velmurugan, D.; Subramanian, E.; Ramakrishanan, V.T. | 9-Methyl-10-(4-methylphenyl)-3,4,6,7,9,10-hexahydro-1,8(2<i>H</i>,5<i>H</i>)-acridinedione | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2011 | 2013 | 10.1107/S0108270194002805 | 1.5418 | CuKα | null | 0.066 | null | null | 0.069 | null | null | null | null | 1.105 | 1.105 | null | null | null | has coordinates | Sivaraman, J.; Subramanian, K.; Velmurugan, D.; Subramanian, E.; Ramakrishanan, V.T.
9-Methyl-10-(4-methylphenyl)-3,4,6,7,9,10-hexahydro-1,8(2<i>H</i>,5<i>H</i>)-acridinedione
Acta Crystallographica Section C
50(12)
(1994)
2011-2013 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,279 | 9.72 | 0.001 | 9.945 | 0.001 | 12.172 | 0.003 | 84.53 | 0.01 | 84.97 | 0.02 | 83.49 | 0.01 | 1,160.2 | 0.3 | 298 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C22 H38 N4 O - | - C22 H38 N4 O - | - C44 H76 N8 O2 - | 2 | 1 | HA1065 | Shanmuga Sundara Raj, S.; Velmurugan, D.; Subramanian, E.; Kandaswamy, M. | 4-<i>tert</i>-Butyl-2,6-bis[(4-methyl-1-piperazinyl)methyl]phenol | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2007 | 2009 | 10.1107/S010827019400034X | 1.5418 | CuKα | null | 0.061 | null | null | 0.071 | null | null | null | null | 0.53 | 0.53 | null | null | null | has coordinates | Shanmuga Sundara Raj, S.; Velmurugan, D.; Subramanian, E.; Kandaswamy, M.
4-<i>tert</i>-Butyl-2,6-bis[(4-methyl-1-piperazinyl)methyl]phenol
Acta Crystallographica Section C
50(12)
(1994)
2007-2009 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,280 | 10.798 | 0.002 | 10.771 | 0.003 | 14.235 | 0.004 | 90 | null | 94.65 | 0.02 | 90 | null | 1,650.2 | 0.7 | 295 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | null | - C16 H23 Cl N2 O3 - | - C16 H23 Cl N2 O3 - | - C64 H92 Cl4 N8 O12 - | 4 | 1 | HA1066 | Shanmuga Sundara Raj, S.; Velmurugan, D.; Subramanian, E.; Kandaswamy, M. | 4-Chloro-2,6-bis(morpholinomethyl)phenol | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2009 | 2010 | 10.1107/S0108270194000351 | 1.5418 | CuKα | null | 0.052 | null | null | 0.076 | null | null | null | null | 0.73 | 0.73 | null | null | null | has coordinates | Shanmuga Sundara Raj, S.; Velmurugan, D.; Subramanian, E.; Kandaswamy, M.
4-Chloro-2,6-bis(morpholinomethyl)phenol
Acta Crystallographica Section C
50(12)
(1994)
2009-2010 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,281 | 7.873 | 0.003 | 5.771 | 0.002 | 8.813 | 0.002 | 90 | null | 107.07 | 0.02 | 90 | null | 382.8 | 0.2 | 173 | null | null | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C8 H6 S2 - | - C8 H6 S2 - | - C16 H12 S4 - | 2 | 0.5 | HA1074 | Chaloner, P. A.; Gunatunga, S. R.; Hitchcock, P. B. | Redetermination of 2,2'-bithiophene | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1941 | 1942 | 10.1107/S0108270194001149 | 0.71069 | MoKα | null | 0.056 | null | null | 0.072 | null | null | null | null | 2.8 | 2.8 | null | null | null | has coordinates | Chaloner, P. A.; Gunatunga, S. R.; Hitchcock, P. B.
Redetermination of 2,2'-bithiophene
Acta Crystallographica Section C
50(12)
(1994)
1941-1942 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,282 | 12.614 | 0.004 | 10.581 | 0.004 | 12.927 | 0.004 | 90 | null | 95.62 | 0.02 | 90 | null | 1,717.1 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C21 H18 O3 S - | - C21 H18 O3 S - | - C84 H72 O12 S4 - | 4 | 1 | HA1085 | Hellier, D. G.; Motevalli, M. | 3,3,5-Triphenyl-1,2-oxathiolane 2,2-dioxide | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1968 | 1969 | 10.1107/S0108270193013241 | 0.71069 | MoKα | 0.0814 | 0.0528 | null | 0.1566 | 0.1459 | null | null | null | 1.019 | 1.179 | 1.179 | null | null | null | has coordinates | Hellier, D. G.; Motevalli, M.
3,3,5-Triphenyl-1,2-oxathiolane 2,2-dioxide
Acta Crystallographica Section C
50(12)
(1994)
1968-1969 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,283 | 7.924 | 0.004 | 9.211 | 0.003 | 11.188 | 0.004 | 77.36 | 0.03 | 85.04 | 0.03 | 64.43 | 0.03 | 718.7 | 0.5 | 291 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C14 H11 Cl N4 O2 S - | - C14 H11 Cl N4 O2 S - | - C28 H22 Cl2 N8 O4 S2 - | 2 | 1 | HA1087 | Liu, M.; Ruble, J.R.; Arora, S.K. | Anticancer agent chloroquinoxaline sulfonamide | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2032 | 2033 | 10.1107/S0108270194003331 | 0.71073 | MoKα | null | 0.057 | null | null | 0.057 | null | null | null | null | 1.56 | 1.56 | null | null | null | has coordinates | Liu, M.; Ruble, J.R.; Arora, S.K.
Anticancer agent chloroquinoxaline sulfonamide
Acta Crystallographica Section C
50(12)
(1994)
2032-2033 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,284 | 12.2411 | 0.0015 | 8.0563 | 0.0009 | 15.354 | 0.002 | 90 | null | 98.997 | 0.013 | 90 | null | 1,495.6 | 0.3 | 293 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C15 H17 N O2 S2 - | - C15 H17 N O2 S2 - | - C60 H68 N4 O8 S8 - | 4 | 1 | HA1092 | Muskett, F.W.; Sawyer, L.; Taylor, P.; Dawson, I.M.; Blake, A.J. | 9-(1,3-Dithian-2-yl)-10-oxa-1-azatricyclo[7.4.0.0^3,8^]trideca-3,5,7-trien-2-one | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2003 | 2004 | 10.1107/S0108270194003343 | 0.71073 | MoKα | null | 0.035 | null | null | 0.0498 | null | null | null | null | 1.303 | 1.303 | null | null | null | has coordinates | Muskett, F.W.; Sawyer, L.; Taylor, P.; Dawson, I.M.; Blake, A.J.
9-(1,3-Dithian-2-yl)-10-oxa-1-azatricyclo[7.4.0.0^3,8^]trideca-3,5,7-trien-2-one
Acta Crystallographica Section C
50(12)
(1994)
2003-2004 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,285 | 7.17 | 0.004 | 8.057 | 0.002 | 14.953 | 0.014 | 84.87 | 0.04 | 89.04 | 0.06 | 69.85 | 0.04 | 807.6 | 0.9 | 200 | null | null | null | null | null | null | null | 4 | P 1 | P 1 | 1 | - C36 H40 N4 O6 - | - C36 H40 N4 O6 - | - C36 H40 N4 O6 - | 1 | 1 | HA1097 | Barkigia, K.M.; Gottfried, D.S. | A new crystal form of methyl bacteriopheophorbide <i>a</i> | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2069 | 2072 | 10.1107/S0108270194004786 | 1.5418 | CuKα | null | 0.076 | null | null | 0.092 | null | null | null | null | 1.85 | 1.85 | null | null | null | has coordinates | Barkigia, K.M.; Gottfried, D.S.
A new crystal form of methyl bacteriopheophorbide <i>a</i>
Acta Crystallographica Section C
50(12)
(1994)
2069-2072 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$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/2/01/02/2010285.cif $
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2,010,286 | 7.49 | 0.002 | 21.689 | 0.003 | 11.17 | 0.006 | 90 | null | 90 | null | 90 | null | 1,814.6 | 1.1 | 293 | null | null | null | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | - C9 H6 O S2 - | - C9 H6 O S2 - | - C72 H48 O8 S16 - | 8 | 1 | HA1104 | Armes, S.P.; Chaloner, P.A.; Hitchcock, P.B.; Simmons, M.R. | 2,2'-Bithiophene-5-carbaldehyde | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1945 | 1947 | 10.1107/S0108270194004798 | 0.71069 | MoKα | null | 0.065 | null | null | 0.066 | null | null | null | null | 1.6 | 1.6 | null | null | null | has coordinates | Armes, S.P.; Chaloner, P.A.; Hitchcock, P.B.; Simmons, M.R.
2,2'-Bithiophene-5-carbaldehyde
Acta Crystallographica Section C
50(12)
(1994)
1945-1947 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$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/2/01/02/2010286.cif $
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