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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,006,257 | 13.731 | 0.001 | 10.294 | 0.001 | 17.23 | 0.001 | 90 | null | 103.06 | 0.01 | 90 | null | 2,372.4 | 0.3 | 293 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C15 H30 N3 S6 V - | - C15 H30 N3 S6 V - | - C60 H120 N12 S24 V4 - | 4 | 1 | TA1121 | Zhu, Hong-Ping; Deng, Yu-Heng; Huang, Xiao-Ying; Chen, Chang-Neng; Liu, Qiu-Tian | Tris(<i>N</i>,<i>N</i>-diethyldithiocarbamato-<i>S</i>,<i>S</i>')vanadium(III) | Acta Crystallographica Section C | 1,997 | 53 | 6 | 692 | 693 | 10.1107/S0108270196015065 | 0.71073 | MoKα | null | 0.0393 | null | null | 0.0456 | null | null | null | null | 1.27 | 1.27 | null | null | null | has coordinates | Zhu, Hong-Ping; Deng, Yu-Heng; Huang, Xiao-Ying; Chen, Chang-Neng; Liu, Qiu-Tian
Tris(<i>N</i>,<i>N</i>-diethyldithiocarbamato-<i>S</i>,<i>S</i>')vanadium(III)
Acta Crystallographica Section C
53(6)
(1997)
692-693 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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#$Revision: 176759 $
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2,006,258 | 8.9289 | 0.0006 | 8.9289 | 0.0006 | 11.3327 | 0.0007 | 90 | null | 90 | null | 120 | null | 782.46 | 0.09 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 63 2 2 | P 6c 2c | 182 | Tris(ethylenediamine)zinc(II) Nitrate | - C6 H24 N8 O6 Zn - | - C6 H24 N8 O6 Zn - | - C12 H48 N16 O12 Zn2 - | 2 | 0.166667 | TA1128 | Neill, Debbie; Riley, Mark J.; Kennard, Colin H. L. | Tris(ethylenediamine-<i>N</i>,<i>N</i>')zinc(II) Dinitrate | Acta Crystallographica Section C | 1,997 | 53 | 6 | 701 | 703 | 10.1107/S0108270197001996 | 0.71069 | MoKα | 0.0253 | 0.0246 | null | 0.059 | 0.0584 | null | null | null | 1.209 | 1.213 | 1.213 | null | null | null | has coordinates | Neill, Debbie; Riley, Mark J.; Kennard, Colin H. L.
Tris(ethylenediamine-<i>N</i>,<i>N</i>')zinc(II) Dinitrate
Acta Crystallographica Section C
53(6)
(1997)
701-703 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,259 | 7.094 | 0.001 | 13.77 | 0.003 | 12.648 | 0.002 | 90 | null | 90.57 | 0.02 | 90 | null | 1,235.5 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | hexaamminecobalt(III) thiosulfate monohydrate | hexaamminecobalt(III) thiosulfate chloride monohydrate | - Cl Co H20 N6 O4 S2 - | - Cl Co H20 N6 O4 S2 - | - Cl4 Co4 H80 N24 O16 S8 - | 4 | 1 | TA1152 | Sobolev, Alexander N.; Figgis, Brian N. | Hexaamminecobalt(III) Thiosulfate Chloride Monohydrate | Acta Crystallographica Section C | 1,997 | 53 | 6 | 661 | 663 | 10.1107/S0108270197002722 | 0.71069 | MoKα | 0.046 | 0.0322 | null | 0.0816 | 0.0736 | null | null | null | 1.078 | 1.102 | 1.102 | null | null | null | has coordinates | Sobolev, Alexander N.; Figgis, Brian N.
Hexaamminecobalt(III) Thiosulfate Chloride Monohydrate
Acta Crystallographica Section C
53(6)
(1997)
661-663 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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4,322,066 | 13.019 | 0.004 | 13.765 | 0.006 | 15.549 | 0.005 | 93.74 | 0.03 | 90.35 | 0.03 | 92.07 | 0.03 | 2,778.6 | 1.7 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C68 H56 Fe2 Ir P4 - | - C68 H56 Fe2 Ir P4 - | - C136 H112 Fe4 Ir2 P8 - | 2 | 1 | Bruno Longato; Lorenzo Riello; Giuliano Bandoli; Giuseppe Pilloni | Iridium(III, 0, and -I) Complexes Stabilized by 1,1'-Bis(diphenylphosphino)ferrocene (dppf): Synthesis and Characterization. Crystal Structures of [Na(THF)5][Ir(dppf)2].THF and [Ir(dppf)2] | Inorganic Chemistry | 1,999 | 38 | 2818 | 2823 | 10.1021/ic981166s | 0.71073 | MoKα | 0.0877 | 0.0619 | null | 0.1637 | 0.1464 | null | null | null | 1.219 | 1.272 | 1.272 | null | null | null | has coordinates | Bruno Longato; Lorenzo Riello; Giuliano Bandoli; Giuseppe Pilloni
Iridium(III, 0, and -I) Complexes Stabilized by 1,1'-Bis(diphenylphosphino)ferrocene (dppf): Synthesis and Characterization. Crystal Structures of [Na(THF)5][Ir(dppf)2].THF and [Ir(dppf)2]
Inorganic Chemistry
38
(1999)
2818-2823 | 179,323 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:20:49 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179323 $
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2,006,260 | 12.868 | 0.001 | 14.951 | 0.001 | 20.436 | 0.001 | 90 | null | 105.58 | 0.01 | 90 | null | 3,787.2 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C21 H17 N O5 S - | - C21 H17 N O5 S - | - C168 H136 N8 O40 S8 - | 8 | 2 | VJ1042 | Govindasamy, L.; Velmurugan, D.; Ravikumar, K.; Mohanakrishnan, A.K. | 4-Hydroxy-6-methoxy-9-phenylsulfonylcarbazol-3-yl Methyl Ketone | Acta Crystallographica Section C | 1,997 | 53 | 6 | 771 | 773 | 10.1107/S0108270196015624 | 0.71073 | MoKα | 0.0746 | 0.0457 | null | 0.1332 | 0.1149 | null | null | null | 1.071 | 1.133 | 1.133 | null | null | null | has coordinates | Govindasamy, L.; Velmurugan, D.; Ravikumar, K.; Mohanakrishnan, A.K.
4-Hydroxy-6-methoxy-9-phenylsulfonylcarbazol-3-yl Methyl Ketone
Acta Crystallographica Section C
53(6)
(1997)
771-773 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,261 | 8.4247 | 0.0007 | 9.482 | 0.001 | 10.634 | 0.001 | 93.565 | 0.01 | 104.462 | 0.009 | 101.452 | 0.008 | 800.57 | 0.14 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | Trimethoprim nitrate | [2,4,-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine] nitrate. | - C14 H19 N5 O6 - | - C14 H19 N5 O6 - | - C28 H38 N10 O12 - | 2 | 1 | VJ1045 | Murugesan, S.; Thomas Muthiah, P. | Hydrogen-Bonding Patterns in Trimethoprim Nitrate, an Antifolate Drug | Acta Crystallographica Section C | 1,997 | 53 | 6 | 763 | 764 | 10.1107/S0108270196015636 | 0.7093 | MoKα | 0.0671 | 0.0503 | null | 0.1297 | 0.1219 | null | null | null | 1.134 | 1.217 | 1.217 | null | null | null | has coordinates | Murugesan, S.; Thomas Muthiah, P.
Hydrogen-Bonding Patterns in Trimethoprim Nitrate, an Antifolate Drug
Acta Crystallographica Section C
53(6)
(1997)
763-764 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,262 | 9.89 | 0.003 | 14.122 | 0.003 | 11.856 | 0.003 | 90 | null | 98.04 | 0.02 | 90 | null | 1,639.6 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/a 1 | -P 2yab | 14 | 3-phenylsulfonyl-3(2-propenyl)chroman-4-one | - C18 H16 O4 S - | - C18 H16 O4 S - | - C72 H64 O16 S4 - | 4 | 1 | VJ1050 | Sriram, D.; Srinivasan, S.; Santhosh, K.C. | 3-Phenylsulfonyl-3-(2-propenyl)chroman-4-one | Acta Crystallographica Section C | 1,997 | 53 | 6 | 793 | 794 | 10.1107/S0108270197001261 | 0.71073 | MoKα | 0.0591 | 0.0502 | null | 0.1337 | 0.1274 | null | null | null | 1.088 | 1.12 | 1.12 | null | null | null | has coordinates | Sriram, D.; Srinivasan, S.; Santhosh, K.C.
3-Phenylsulfonyl-3-(2-propenyl)chroman-4-one
Acta Crystallographica Section C
53(6)
(1997)
793-794 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,263 | 8.3549 | 0.0011 | 9.1092 | 0.0014 | 10.29 | 0.002 | 64.196 | 0.016 | 77.525 | 0.014 | 82.951 | 0.011 | 688 | 0.2 | 150 | 0.2 | 150 | 0.2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C10 H20 I8 S4 - | - C10 H20 I8 S4 - | - C10 H20 I8 S4 - | 1 | 0.5 | AB1440 | Blake, Alexander J.; Li, Wan-Sheung; Lippolis, Vito; Schröder, Martin | 1,4,8,11-Tetrakis(diiodine)-1,4,8,11-tetrathiacyclotetradecane | Acta Crystallographica Section C | 1,997 | 53 | 7 | 886 | 888 | 10.1107/S010827019700067X | 0.71073 | MoKα | 0.0396 | 0.0312 | null | 0.0689 | 0.0631 | null | null | null | 1.156 | 1.13 | 1.13 | null | null | null | has coordinates | Blake, Alexander J.; Li, Wan-Sheung; Lippolis, Vito; Schröder, Martin
1,4,8,11-Tetrakis(diiodine)-1,4,8,11-tetrathiacyclotetradecane
Acta Crystallographica Section C
53(7)
(1997)
886-888 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,264 | 8.754 | 0.002 | 15.055 | 0.003 | 26.742 | 0.005 | 90 | null | 90 | null | 90 | null | 3,524.4 | 1.3 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P b c a | -P 2ac 2ab | 61 | Anhydride of diacetoxyboric and 1-cyclopropyl-6-fluoro-7-chloro-4-oxo-1,4- dihydroquinoline-3-carboxylic acid | - C17 H14 B Cl F N O7 - | - C17 H14 B Cl F N O7 - | - C136 H112 B8 Cl8 F8 N8 O56 - | 8 | 1 | AB1445 | Turel, Iztok; Leban, Ivan; Bukovec, Peter; Barbo, Martin | Boron Complex of a Member of the Quinolone Family | Acta Crystallographica Section C | 1,997 | 53 | 7 | 942 | 943 | 10.1107/S0108270197003491 | 0.71073 | MoKα | 0.1014 | 0.0534 | null | 0.1395 | 0.1128 | null | null | null | 1.076 | 1.128 | 1.128 | null | null | null | has coordinates | Turel, Iztok; Leban, Ivan; Bukovec, Peter; Barbo, Martin
Boron Complex of a Member of the Quinolone Family
Acta Crystallographica Section C
53(7)
(1997)
942-943 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
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2,006,265 | 40.266 | 0.014 | 7.044 | 0.0013 | 7.1203 | 0.0013 | 90 | null | 90 | null | 90 | null | 2,019.6 | 0.9 | 294 | 1 | 294 | 1 | null | null | null | null | 4 | C m c 21 | C 2c -2 | 36 | - C23 H23 N3 O2 - | - C23 H23 N3 O2 - | - C92 H92 N12 O8 - | 4 | 0.5 | AB1460 | Meehan, Paul R.; Alyea, Elmer C.; Ferguson, George | 2,6-Diacetylpyridinebis(<i>p</i>-methoxyaniline), a Terdentate <i>NNN</i> Donor Ligand | Acta Crystallographica Section C | 1,997 | 53 | 7 | 888 | 890 | 10.1107/S0108270197002035 | 0.7107 | MoKα | 0.0973 | 0.052 | null | 0.1436 | 0.127 | null | null | null | 0.94 | 1.14 | 1.14 | null | null | null | has coordinates | Meehan, Paul R.; Alyea, Elmer C.; Ferguson, George
2,6-Diacetylpyridinebis(<i>p</i>-methoxyaniline), a Terdentate <i>NNN</i> Donor Ligand
Acta Crystallographica Section C
53(7)
(1997)
888-890 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,065 | 20.693 | 0.004 | 11.429 | 0.002 | 20.138 | 0.004 | 90 | null | 104.78 | 0.03 | 90 | null | 4,605.1 | 1.6 | 113 | 2 | 113 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C7 H17 Br2 Cu N3 - | - C7 H17 Br2 Cu N3 - | - C112 H272 Br32 Cu16 N48 - | 16 | 2 | Eric L. Hegg; Stephen H. Mortimore; Chin Li Cheung; Jennifer E. Huyett; Douglas R. Powell; Judith N. Burstyn | Structure-Reactivity Studies in Copper(II)-Catalyzed Phosphodiester Hydrolysis | Inorganic Chemistry | 1,999 | 38 | 2961 | 2968 | 10.1021/ic981087g | 1.54178 | CuKα | 0.0791 | 0.0786 | null | 0.2076 | 0.2071 | null | null | null | 1.163 | 1.172 | 1.172 | null | null | null | has coordinates | Eric L. Hegg; Stephen H. Mortimore; Chin Li Cheung; Jennifer E. Huyett; Douglas R. Powell; Judith N. Burstyn
Structure-Reactivity Studies in Copper(II)-Catalyzed Phosphodiester Hydrolysis
Inorganic Chemistry
38
(1999)
2961-2968 | 179,323 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:20:49 +0200 (Wed, 23 Mar 2016) $
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2,006,266 | 9.2739 | 0.0013 | 16.682 | 0.002 | 14.69 | 0.002 | 90 | null | 90 | null | 90 | null | 2,272.6 | 0.5 | 294 | 2 | 294 | 2 | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | N-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycine Dihydrate | - C7 H13 N5 O6 - | - C7 H13 N5 O6 - | - C56 H104 N40 O48 - | 8 | 1 | AB1473 | Low, John N.; Ferguson, George; López, Rafael; Arranz, Paloma; Cobo, Justo; Melguizo, Manuel; Nogueras, Manuel; Sánchez, Adolfo | <i>N</i>-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycine–Water (1/2) | Acta Crystallographica Section C | 1,997 | 53 | 7 | 890 | 892 | 10.1107/S0108270197003934 | 0.7107 | MolybdenumKα | 0.121 | 0.0482 | null | 0.1205 | 0.1043 | null | null | null | 0.889 | 1.149 | 1.149 | null | null | null | has coordinates | Low, John N.; Ferguson, George; López, Rafael; Arranz, Paloma; Cobo, Justo; Melguizo, Manuel; Nogueras, Manuel; Sánchez, Adolfo
<i>N</i>-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycine–Water (1/2)
Acta Crystallographica Section C
53(7)
(1997)
890-892 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
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2,006,267 | 10.6524 | 0.0012 | 10.6524 | 0.0012 | 25.548 | 0.004 | 90 | null | 90 | null | 90 | null | 2,899 | 0.6 | 293 | null | 293 | null | null | null | null | null | 3 | P 41 21 2 | P 4abw 2nw | 92 | - C34 H42 O2 - | - C34 H42 O2 - | - C136 H168 O8 - | 4 | 0.5 | BK1252 | Suh, Il-Hwan; Choi, Sungjo; Lewis, David E.; Jensen, William P. | Two Related Benzylcamphor Dimers | Acta Crystallographica Section C | 1,997 | 53 | 7 | 963 | 967 | 10.1107/S0108270197000371 | 0.7093 | MolybdenumKα | 0.047 | 0.047 | null | 0.027 | 0.027 | null | null | null | null | 2.18 | 2.18 | null | null | null | has coordinates | Suh, Il-Hwan; Choi, Sungjo; Lewis, David E.; Jensen, William P.
Two Related Benzylcamphor Dimers
Acta Crystallographica Section C
53(7)
(1997)
963-967 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,268 | 13.453 | 0.003 | 10.1847 | 0.0016 | 10.2639 | 0.0018 | 90 | null | 101.012 | 0.017 | 90 | null | 1,380.4 | 0.5 | 293 | null | 293 | null | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | - C34 H42 O2 - | - C34 H42 O2 - | - C68 H84 O4 - | 2 | 1 | BK1252 | Suh, Il-Hwan; Choi, Sungjo; Lewis, David E.; Jensen, William P. | Two Related Benzylcamphor Dimers | Acta Crystallographica Section C | 1,997 | 53 | 7 | 963 | 967 | 10.1107/S0108270197000371 | 1.54056 | CopperKα | 0.08 | 0.08 | null | 0.067 | 0.067 | null | null | null | null | 7.32 | 7.32 | null | null | null | has coordinates | Suh, Il-Hwan; Choi, Sungjo; Lewis, David E.; Jensen, William P.
Two Related Benzylcamphor Dimers
Acta Crystallographica Section C
53(7)
(1997)
963-967 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
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2,006,269 | 9.51 | 0.002 | 13.75 | 0.003 | 13.41 | 0.002 | 90 | null | 107.58 | 0.01 | 90 | null | 1,671.6 | 0.6 | 295 | null | 295 | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | bis[1,3-dimethyl-2(3H)-imidazoleselone]dichlorocobalt(II) | - C10 H16 Cl2 Co N4 Se2 - | - C10 H16 Cl2 Co N4 Se2 - | - C40 H64 Cl8 Co4 N16 Se8 - | 4 | 1 | BK1302 | Williams, Daniel J.; Jones, Timothy A.; Rice, Edward D.; Davis, Kerri J.; Ritchie, John A.; Pennington, William T.; Schimek, George L. | Dichlorobis[1,3-dimethylimidazole-2(3<i>H</i>)selone-<i>Se</i>]cobalt(II) | Acta Crystallographica Section C | 1,997 | 53 | 7 | 837 | 838 | 10.1107/S0108270196013947 | 0.71073 | MoKα | 0.0626 | 0.0333 | null | 0.0431 | 0.0398 | null | null | null | null | 1.16 | 1.16 | null | null | null | has coordinates | Williams, Daniel J.; Jones, Timothy A.; Rice, Edward D.; Davis, Kerri J.; Ritchie, John A.; Pennington, William T.; Schimek, George L.
Dichlorobis[1,3-dimethylimidazole-2(3<i>H</i>)selone-<i>Se</i>]cobalt(II)
Acta Crystallographica Section C
53(7)
(1997)
837-838 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006269.cif $
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4,322,064 | 13.7621 | 0.001 | 8.7492 | 0.0013 | 10.0073 | 0.001 | 90 | null | 90 | null | 90 | null | 1,205 | 0.2 | 113 | 2 | 113 | 2 | null | null | null | null | 5 | P n m a | -P 2ac 2n | 62 | - C8 H19 Br2 Cu N3 - | - C8 H19 Br2 Cu N3 - | - C32 H76 Br8 Cu4 N12 - | 4 | 0.5 | Eric L. Hegg; Stephen H. Mortimore; Chin Li Cheung; Jennifer E. Huyett; Douglas R. Powell; Judith N. Burstyn | Structure-Reactivity Studies in Copper(II)-Catalyzed Phosphodiester Hydrolysis | Inorganic Chemistry | 1,999 | 38 | 2961 | 2968 | 10.1021/ic981087g | 1.54178 | CuKα | 0.0514 | 0.0449 | null | 0.1048 | 0.1022 | null | null | null | 1.178 | 1.194 | 1.194 | null | null | null | has coordinates | Eric L. Hegg; Stephen H. Mortimore; Chin Li Cheung; Jennifer E. Huyett; Douglas R. Powell; Judith N. Burstyn
Structure-Reactivity Studies in Copper(II)-Catalyzed Phosphodiester Hydrolysis
Inorganic Chemistry
38
(1999)
2961-2968 | 179,323 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:20:49 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179323 $
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2,006,270 | 17.762 | 0.002 | 6.7914 | 0.0008 | 8.5267 | 0.0011 | 90 | null | 90 | null | 90 | null | 1,028.6 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P n m a | -P 2ac 2n | 62 | - C12 H18 O2 - | - C12 H18 O2 - | - C48 H72 O8 - | 4 | 0.5 | BK1307 | Rath, Nigam P.; Gu, Hong; Murray, Robert W. | 1-Acetyl-3-hydroxyadamantane and 1-Carboxy-3-hydroxyadamantane | Acta Crystallographica Section C | 1,997 | 53 | 7 | 944 | 946 | 10.1107/S010827019700245X | 0.71073 | MoKα | 0.0855 | 0.0551 | null | 0.1581 | 0.1395 | null | null | null | 1.04 | 1.146 | 1.146 | null | null | null | has coordinates | Rath, Nigam P.; Gu, Hong; Murray, Robert W.
1-Acetyl-3-hydroxyadamantane and 1-Carboxy-3-hydroxyadamantane
Acta Crystallographica Section C
53(7)
(1997)
944-946 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,271 | 6.675 | 0.006 | 20.767 | 0.019 | 7.109 | 0.007 | 90 | null | 106.08 | 0.06 | 90 | null | 946.9 | 1.6 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C11 H16 O3 - | - C11 H16 O3 - | - C44 H64 O12 - | 4 | 1 | BK1307 | Rath, Nigam P.; Gu, Hong; Murray, Robert W. | 1-Acetyl-3-hydroxyadamantane and 1-Carboxy-3-hydroxyadamantane | Acta Crystallographica Section C | 1,997 | 53 | 7 | 944 | 946 | 10.1107/S010827019700245X | 0.71073 | MoKα | 0.1438 | 0.065 | null | 0.1473 | 0.1138 | null | null | null | 1.051 | 1.201 | 1.201 | null | null | null | has coordinates | Rath, Nigam P.; Gu, Hong; Murray, Robert W.
1-Acetyl-3-hydroxyadamantane and 1-Carboxy-3-hydroxyadamantane
Acta Crystallographica Section C
53(7)
(1997)
944-946 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,272 | 11.188 | 0.001 | 4.746 | 0.001 | 23.012 | 0.002 | 90 | 0.01 | 92.05 | 0.01 | 90 | 0.01 | 1,221.1 | 0.3 | 293 | null | 293 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | null | 2-(2-thienylmethylidenehydrazino)quinoline | - C14 H11 N3 S - | - C14 H11 N3 S - | - C56 H44 N12 S4 - | 4 | 1 | BK1314 | Mague, Joel T.; Vang, Sue; Berge, Douglas G.; Wacholtz, William F. | Isomerism/Tautomerism in Hydrazones Derived from Thiophenaldehydes and 2-Hydrazinoquinoline | Acta Crystallographica Section C | 1,997 | 53 | 7 | 973 | 979 | 10.1107/S0108270197001212 | 0.71073 | MoKα | 0.084 | 0.039 | null | null | 0.048 | null | null | null | null | 1.45 | 1.45 | null | null | null | has coordinates,has Fobs | Mague, Joel T.; Vang, Sue; Berge, Douglas G.; Wacholtz, William F.
Isomerism/Tautomerism in Hydrazones Derived from Thiophenaldehydes and 2-Hydrazinoquinoline
Acta Crystallographica Section C
53(7)
(1997)
973-979 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,273 | 9.8543 | 0.0007 | 9.854 | 0.002 | 28.457 | 0.004 | 90 | 0.01 | 90 | 0.009 | 90 | 0.009 | 2,763.3 | 0.7 | 293 | null | 293 | null | null | null | null | null | 4 | P 43 21 2 | P 41n 2abw | null | 2-(methyl(2-thienyl)methylidenehydrazino)quinoline | - C15 H13 N3 S - | - C15 H13 N3 S - | - C120 H104 N24 S8 - | 8 | 1 | BK1314 | Mague, Joel T.; Vang, Sue; Berge, Douglas G.; Wacholtz, William F. | Isomerism/Tautomerism in Hydrazones Derived from Thiophenaldehydes and 2-Hydrazinoquinoline | Acta Crystallographica Section C | 1,997 | 53 | 7 | 973 | 979 | 10.1107/S0108270197001212 | 0.71073 | MoKα | 0.119 | 0.037 | null | null | 0.043 | null | null | null | null | 1.242 | 1.242 | null | null | null | has coordinates,has Fobs | Mague, Joel T.; Vang, Sue; Berge, Douglas G.; Wacholtz, William F.
Isomerism/Tautomerism in Hydrazones Derived from Thiophenaldehydes and 2-Hydrazinoquinoline
Acta Crystallographica Section C
53(7)
(1997)
973-979 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,274 | 9.585 | 0.0007 | 9.585 | 0.001 | 29.939 | 0.004 | 90 | 0.01 | 90 | 0.008 | 90 | 0.008 | 2,750.6 | 0.5 | 293 | null | 293 | null | null | null | null | null | 5 | P 41 21 2 | P 43n 2nw | null | 2-(5-bromothien-2-ylmethylidenehydrazono)quinoline | - C14 H10 Br N3 S - | - C14 H10 Br N3 S - | - C112 H80 Br8 N24 S8 - | 8 | 1 | BK1314 | Mague, Joel T.; Vang, Sue; Berge, Douglas G.; Wacholtz, William F. | Isomerism/Tautomerism in Hydrazones Derived from Thiophenaldehydes and 2-Hydrazinoquinoline | Acta Crystallographica Section C | 1,997 | 53 | 7 | 973 | 979 | 10.1107/S0108270197001212 | 0.71073 | MoKα | 0.065 | 0.026 | null | null | 0.033 | null | null | null | null | 1.06 | 1.06 | null | null | null | has coordinates,has Fobs | Mague, Joel T.; Vang, Sue; Berge, Douglas G.; Wacholtz, William F.
Isomerism/Tautomerism in Hydrazones Derived from Thiophenaldehydes and 2-Hydrazinoquinoline
Acta Crystallographica Section C
53(7)
(1997)
973-979 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,275 | 4.6689 | 0.0008 | 11.603 | 0.001 | 23.744 | 0.002 | 90 | 0.008 | 90 | 0.01 | 90 | 0.01 | 1,286.3 | 0.3 | 293 | null | 293 | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | null | 2-(5-chlorothien-2-ylmethylidenehydrazino)quinoline | - C14 H10 Cl N3 S - | - C14 H10 Cl N3 S - | - C56 H40 Cl4 N12 S4 - | 4 | 1 | BK1314 | Mague, Joel T.; Vang, Sue; Berge, Douglas G.; Wacholtz, William F. | Isomerism/Tautomerism in Hydrazones Derived from Thiophenaldehydes and 2-Hydrazinoquinoline | Acta Crystallographica Section C | 1,997 | 53 | 7 | 973 | 979 | 10.1107/S0108270197001212 | 0.71073 | MoKα | 0.041 | 0.027 | null | null | 0.038 | null | null | null | null | 1.38 | 1.38 | null | null | null | has coordinates,has Fobs | Mague, Joel T.; Vang, Sue; Berge, Douglas G.; Wacholtz, William F.
Isomerism/Tautomerism in Hydrazones Derived from Thiophenaldehydes and 2-Hydrazinoquinoline
Acta Crystallographica Section C
53(7)
(1997)
973-979 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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4,322,063 | 15.269 | 0.005 | 11.484 | 0.005 | 19.389 | 0.007 | 90 | null | 102.85 | 0.06 | 90 | null | 3,315 | 2 | 293 | 2 | 295 | 2 | null | null | null | null | synthesis | 6 | P 1 21/n 1 | -P 2yn | 14 | - C23 H43 Cl3 Lu N3 O12 - | - C23 H27 Cl3 Lu N3 O12 - | - C92 H108 Cl12 Lu4 N12 O48 - | 4 | 1 | Umberto Casellato; Sergio Tamburini; Patrizia Tomasin; Pietro A. Vigato; Silvio Aime; Mauro Botta | Synthesis, X-ray Structure, and Solution NMR Studies of Ln(III) Complexes with a Macrocyclic Asymmetric Compartmental Schiff Base. Preference of the Ln(III) Ions for a Crown-Like Coordination Site | Inorganic Chemistry | 1,999 | 38 | 2906 | 2916 | 10.1021/ic980715r | 0.71073 | MoKα | 0.1071 | 0.0639 | null | 0.329 | 0.2028 | null | null | null | 1.965 | 1.965 | 1.965 | null | null | null | has coordinates | Umberto Casellato; Sergio Tamburini; Patrizia Tomasin; Pietro A. Vigato; Silvio Aime; Mauro Botta
Synthesis, X-ray Structure, and Solution NMR Studies of Ln(III) Complexes with a Macrocyclic Asymmetric Compartmental Schiff Base. Preference of the Ln(III) Ions for a Crown-Like Coordination Site
Inorganic Chemistry
38
(1... | 211,332 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,006,276 | 6.904 | 0.003 | 8.431 | 0.003 | 9.555 | 0.006 | 111.21 | 0.04 | 92.02 | 0.04 | 107.74 | 0.04 | 487.2 | 0.5 | 293 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C9 H10 N4 O - | - C9 H10 N4 O - | - C18 H20 N8 O2 - | 2 | 1 | BM1034 | Cunningham, Ian D.; Wan, Nan Chi; Povey, David C.; Smith, Gallienus W.; Cox, Brian G. | <i>N</i>-Cyano-<i>N</i>'-(4-methoxyphenyl)guanidine | Acta Crystallographica Section C | 1,997 | 53 | 7 | 984 | 985 | 10.1107/S0108270197003065 | 0.71073 | MoKα | null | 0.058 | null | null | 0.076 | null | null | null | null | 1.026 | 1.026 | null | null | null | has coordinates | Cunningham, Ian D.; Wan, Nan Chi; Povey, David C.; Smith, Gallienus W.; Cox, Brian G.
<i>N</i>-Cyano-<i>N</i>'-(4-methoxyphenyl)guanidine
Acta Crystallographica Section C
53(7)
(1997)
984-985 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,277 | 8.5261 | 0.0007 | 10.012 | 0.0007 | 10.2216 | 0.0014 | 90 | null | 90 | null | 90 | null | 872.55 | 0.15 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | (N-Boc-amino)acetonitrile | - C7 H12 N2 O2 - | - C7 H12 N2 O2 - | - C28 H48 N8 O8 - | 4 | 1 | BM1121 | Sood, Geeta; Schwalbe, Carl H.; Fraser, William | (<i>tert</i>-Butoxycarbonylamino)acetonitrile | Acta Crystallographica Section C | 1,997 | 53 | 7 | 959 | 961 | 10.1107/S0108270197002795 | 1.54178 | CuKα | 0.0295 | 0.0286 | null | 0.0843 | 0.0831 | null | null | null | 1.084 | 1.082 | 1.082 | null | null | null | has coordinates | Sood, Geeta; Schwalbe, Carl H.; Fraser, William
(<i>tert</i>-Butoxycarbonylamino)acetonitrile
Acta Crystallographica Section C
53(7)
(1997)
959-961 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,278 | 14.397 | 0.008 | 7.818 | 0.004 | 10.506 | 0.006 | 90 | null | 99.7 | 0.03 | 90 | null | 1,165.6 | 1.1 | 100 | null | 100 | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | ibuprofen | 2-(4-Isobutylphenyl)propanoic acid | - C13 H18 O2 - | - C13 H18 O2 - | - C52 H72 O8 - | 4 | 1 | BM1126 | Shankland, Norman; Wilson, Chick C.; Florence, Alastair J.; Cox, Philip J. | Refinement of Ibuprofen at 100 K by Single-Crystal Pulsed Neutron Diffraction | Acta Crystallographica Section C | 1,997 | 53 | 951 | 954 | 10.1107/S0108270197003193 | null | null | 0.077 | null | null | 0.053 | null | null | null | null | null | null | null | null | null | has coordinates | Shankland, Norman; Wilson, Chick C.; Florence, Alastair J.; Cox, Philip J.
Refinement of Ibuprofen at 100 K by Single-Crystal Pulsed Neutron Diffraction
Acta Crystallographica Section C
53
(1997)
951-954 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
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2,006,279 | 9.186 | 0.002 | 22.603 | 0.006 | 13.685 | 0.003 | 90 | null | 101.6 | 0.01 | 90 | null | 2,783.4 | 1.1 | 143 | 2 | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | Bis(η^6^‒toluene)thallium(I)7,8,9,10,11,12-hexabromo-closo-1-carbaun- decaborate | - C15 H22 B11 Br6 Tl - | - C15 H22 B11 Br6 Tl - | - C60 H88 B44 Br24 Tl4 - | 4 | 1 | BM1128 | Mathur, Rajeev S.; Drovetskaya, Tatiana; Reed, Christopher A. | Bis(η^6^-toluene)thallium(I) 7,8,9,10,11,12-Hexabromo-<i>closo</i>-1-carbadodecaborate: a Halocarborane-Bridged Dimer with Heavy Metal‒Arene Interactions | Acta Crystallographica Section C | 1,997 | 53 | 7 | 881 | 883 | 10.1107/S010827019700320X | 0.71073 | MoKα | 0.0741 | 0.0439 | null | 0.0923 | 0.082 | null | null | null | 0.843 | 1.034 | 1.034 | null | null | null | has coordinates | Mathur, Rajeev S.; Drovetskaya, Tatiana; Reed, Christopher A.
Bis(η^6^-toluene)thallium(I) 7,8,9,10,11,12-Hexabromo-<i>closo</i>-1-carbadodecaborate: a Halocarborane-Bridged Dimer with Heavy Metal‒Arene Interactions
Acta Crystallographica Section C
53(7)
(1997)
881-883 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,006,280 | 15.24 | 0.002 | 17.22 | 0.002 | 7.8492 | 0.0008 | 90.236 | 0.01 | 104.33 | 0.01 | 79.41 | 0.01 | 1,960 | 0.4 | 296.2 | null | 296.2 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C21 H25 N3 O2 S - | - C21 H25 N3 O2 S - | - C84 H100 N12 O8 S4 - | 4 | 2 | BM1130 | Helliwell, Madeleine; Zhao, Yuekun; Joule, John A. | An Atypical Conformation of a Toluenesulfonamide | Acta Crystallographica Section C | 1,997 | 53 | 7 | 884 | 886 | 10.1107/S0108270197001492 | 0.7107 | MoKα | 0.1037 | 0.0477 | null | 0.0386 | 0.0343 | null | null | null | 1.731 | 2.024 | 2.024 | null | null | null | has coordinates | Helliwell, Madeleine; Zhao, Yuekun; Joule, John A.
An Atypical Conformation of a Toluenesulfonamide
Acta Crystallographica Section C
53(7)
(1997)
884-886 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,281 | 9.616 | 0.002 | 10.672 | 0.002 | 12.344 | 0.003 | 112.87 | 0.002 | 100.174 | 0.003 | 90.257 | 0.002 | 1,145.1 | 0.4 | 294 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C44 H52 Cd N6 Ni2 O10 - | - C44 H52 Cd N6 Ni2 O10 - | - C44 H52 Cd N6 Ni2 O10 - | 1 | 0.5 | BM1135 | Ülkü, Dinçer; Tahir, M. Nawaz; Atakol, Orhan; Nazir, Hasan | Bis{(μ-acetato)[μ-bis(salicylidene)-1,3-propanediaminato](<i>N</i>,<i>N</i>-dimethylformamide)nickel(II)}cadmium(II) | Acta Crystallographica Section C | 1,997 | 53 | 7 | 872 | 874 | 10.1107/S0108270197002047 | 0.71073 | MoKα | null | 0.022 | null | null | 0.031 | null | null | null | null | 1.16 | 1.16 | null | null | null | has coordinates | Ülkü, Dinçer; Tahir, M. Nawaz; Atakol, Orhan; Nazir, Hasan
Bis{(μ-acetato)[μ-bis(salicylidene)-1,3-propanediaminato](<i>N</i>,<i>N</i>-dimethylformamide)nickel(II)}cadmium(II)
Acta Crystallographica Section C
53(7)
(1997)
872-874 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,062 | 10.87 | 0.005 | 16.785 | 0.006 | 9.046 | 0.004 | 90 | null | 97.91 | 0.07 | 90 | null | 1,634.8 | 1.2 | 295 | 2 | 295 | 2 | null | null | null | null | synthesis | 6 | P 1 21 1 | P 2yb | 4 | - C23 H39 Cl3 Dy N3 O10 - | - C22 H27 Cl3 Dy N3 O10 - | - C44 H54 Cl6 Dy2 N6 O20 - | 2 | 1 | Umberto Casellato; Sergio Tamburini; Patrizia Tomasin; Pietro A. Vigato; Silvio Aime; Mauro Botta | Synthesis, X-ray Structure, and Solution NMR Studies of Ln(III) Complexes with a Macrocyclic Asymmetric Compartmental Schiff Base. Preference of the Ln(III) Ions for a Crown-Like Coordination Site | Inorganic Chemistry | 1,999 | 38 | 2906 | 2916 | 10.1021/ic980715r | 0.71073 | MoKα | 0.0541 | 0.0467 | null | 0.1816 | 0.1423 | null | null | null | 1.484 | 1.484 | 1.484 | null | null | null | has coordinates | Umberto Casellato; Sergio Tamburini; Patrizia Tomasin; Pietro A. Vigato; Silvio Aime; Mauro Botta
Synthesis, X-ray Structure, and Solution NMR Studies of Ln(III) Complexes with a Macrocyclic Asymmetric Compartmental Schiff Base. Preference of the Ln(III) Ions for a Crown-Like Coordination Site
Inorganic Chemistry
38
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2,006,282 | 8.97 | 0.02 | 18.89 | 0.03 | 8.355 | 0.008 | 90 | null | 90 | null | 90 | null | 1,416 | 4 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | Tetraethyleneneglycol succinate | - C12 H20 O7 - | - C12 H20 O7 - | - C48 H80 O28 - | 4 | 1 | BM1137 | Cronin, Leroy; Moore, Madeleine H.; Semlyen, J. Anthony; Wood, Barry R. | A Cyclic Monomer of Tetraethyleneglycol Succinate | Acta Crystallographica Section C | 1,997 | 53 | 7 | 940 | 942 | 10.1107/S0108270197002928 | 0.71069 | MoKα | 0.1552 | 0.0527 | null | 0.3111 | 0.1395 | null | null | null | 1.053 | 1.08 | 1.08 | null | null | null | has coordinates | Cronin, Leroy; Moore, Madeleine H.; Semlyen, J. Anthony; Wood, Barry R.
A Cyclic Monomer of Tetraethyleneglycol Succinate
Acta Crystallographica Section C
53(7)
(1997)
940-942 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
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#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006282.cif $
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2,006,283 | 10.838 | 0.002 | 18.347 | 0.004 | 8.948 | 0.001 | 90 | null | 103.34 | 0.01 | 90 | null | 1,731.3 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C19 H22 N2 Ni O2 - | - C19 H21 N2 Ni O2 - | - C76 H84 N8 Ni4 O8 - | 4 | 1 | BM1142 | Kabak, Mehmet; Elmali, Ayhan; Elerman, Yalçın | [<i>N</i>-(2-Hydroxybenzyl)salicylaldiminato](piperidine)nickel(II) | Acta Crystallographica Section C | 1,997 | 53 | 7 | 868 | 870 | 10.1107/S0108270197004174 | 0.71073 | MoKα | 0.0497 | 0.0433 | null | 0.1289 | 0.1233 | null | null | null | 0.736 | 0.759 | 0.759 | null | null | null | has coordinates,has disorder | Kabak, Mehmet; Elmali, Ayhan; Elerman, Yalçın
[<i>N</i>-(2-Hydroxybenzyl)salicylaldiminato](piperidine)nickel(II)
Acta Crystallographica Section C
53(7)
(1997)
868-870 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006283.cif $
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2,006,284 | 7.389 | 0.001 | 16.073 | 0.003 | 12.161 | 0.002 | 90 | null | 106.1 | 0.03 | 90 | null | 1,387.6 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | (20S)-6β-methoxy-20-(p-toluenesulfonoxymethyl)-3α,5- cyclo-5α-pregnane | - C30 H44 O4 S - | - C30 H44 O4 S - | - C60 H88 O8 S2 - | 2 | 1 | BM1146 | Ketuly, Kamal A.; Yufit, Dmitrii S.; Brooks, Charles J.W.; Freer, Andrew A. | (20<i>S</i>)-6β-Methoxy-20-(<i>p</i>-toluenesulfonyloxymethyl)-3α,5-cyclo-5α-pregnane | Acta Crystallographica Section C | 1,997 | 53 | 7 | 981 | 982 | 10.1107/S0108270197003570 | 0.71069 | MoKα | 0.0942 | 0.0395 | null | 0.119 | 0.0948 | null | null | null | 1.025 | 1.071 | 1.071 | null | null | null | has coordinates | Ketuly, Kamal A.; Yufit, Dmitrii S.; Brooks, Charles J.W.; Freer, Andrew A.
(20<i>S</i>)-6β-Methoxy-20-(<i>p</i>-toluenesulfonyloxymethyl)-3α,5-cyclo-5α-pregnane
Acta Crystallographica Section C
53(7)
(1997)
981-982 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,285 | 5.335 | 0.003 | 7.144 | 0.004 | 12.438 | 0.004 | 90 | null | 90 | null | 90 | null | 474.1 | 0.4 | 298 | null | null | null | null | null | null | null | 5 | P n m a | -P 2ac 2n | 62 | - Ca2 F Na O4 Si - | - Ca1.92 F Na1.08 O4 Si - | - Ca7.68 F4 Na4.32 O16 Si4 - | 4 | 0.5 | BR1103 | Andaχ c, Ö.; Glasser, F. P.; Howie, R. A. | Dicalcium Sodium Fluoride Silicate | Acta Crystallographica Section C | 1,997 | 53 | 7 | 831 | 833 | 10.1107/S0108270197000449 | 0.71073 | MoKα | null | 0.047 | null | null | 0.06 | null | null | null | null | 0.81 | 0.81 | null | null | null | has coordinates | Andaχ c, Ö.; Glasser, F. P.; Howie, R. A.
Dicalcium Sodium Fluoride Silicate
Acta Crystallographica Section C
53(7)
(1997)
831-833 | 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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2,006,286 | 18.4783 | 0.0005 | 6.5523 | 0.0002 | 8.4268 | 0.0003 | 90 | null | 91.132 | 0.002 | 90 | null | 1,020.08 | 0.06 | 293 | null | 293 | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | tetramethylammonium trivanadius heptaoxide | - C4 H12 N O7 V3 - | - C4 N O7 V3 - | - C16 N4 O28 V12 - | 4 | 1 | BR1166 | Zavalij, Peter Y.; Chirayil, Thomas; Whittingham, M. Stanley | Layered Tetramethylammonium Vanadium Oxide [N(CH~3~)~4~]V~3~O~7~ by X-ray Rietveld Refinement | Acta Crystallographica Section C | 1,997 | 53 | 7 | 879 | 881 | 10.1107/S0108270197000474 | 1.54178 | CuKα | null | 0.078 | null | 0.094 | 0.094 | null | null | null | null | null | null | null | null | null | has coordinates,has Fobs | Zavalij, Peter Y.; Chirayil, Thomas; Whittingham, M. Stanley
Layered Tetramethylammonium Vanadium Oxide [N(CH~3~)~4~]V~3~O~7~ by X-ray Rietveld Refinement
Acta Crystallographica Section C
53(7)
(1997)
879-881 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006286.cif $
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2,006,287 | 6.661 | 0.001 | 13.652 | 0.002 | 15.613 | 0.002 | 90 | null | 94.281 | 0.002 | 90 | null | 1,415.8 | 0.3 | 15 | null | 15 | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C10 D8 S8 - | - C10 D8 S8 - | - C40 D32 S32 - | 4 | 1 | BR1170 | Dianna M. Young; Arthur J. Schultz; Aravinda M. Kini; Jack M. Williams | Isotopically Substituted Bis(ethylenedithio)tetrathiafulvalene at 15K by Time-of-Flight Neutron Diffraction | Acta Crystallographica Section C | 1,997 | 53 | 7 | 961 | 963 | 10.1107/S0108270197003077 | neutron | null | Pulsedneutron | null | 0.062 | null | null | 0.058 | null | null | null | null | 1.2 | 1.2 | null | null | null | has coordinates | Dianna M. Young; Arthur J. Schultz; Aravinda M. Kini; Jack M. Williams
Isotopically Substituted Bis(ethylenedithio)tetrathiafulvalene at 15K by Time-of-Flight Neutron Diffraction
Acta Crystallographica Section C
53(7)
(1997)
961-963 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006287.cif $
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4,322,061 | 10.983 | 0.005 | 16.96 | 0.006 | 9.058 | 0.004 | 90 | null | 98.03 | 0.07 | 90 | null | 1,670.7 | 1.2 | 295 | 2 | 295 | 2 | null | null | null | null | synthesis | 6 | P 1 21 1 | P 2yb | 4 | - C23 H39 Ce Cl3 N3 O10 - | - C23 H27 Ce Cl3 N3 O10 - | - C46 H54 Ce2 Cl6 N6 O20 - | 2 | 1 | Umberto Casellato; Sergio Tamburini; Patrizia Tomasin; Pietro A. Vigato; Silvio Aime; Mauro Botta | Synthesis, X-ray Structure, and Solution NMR Studies of Ln(III) Complexes with a Macrocyclic Asymmetric Compartmental Schiff Base. Preference of the Ln(III) Ions for a Crown-Like Coordination Site | Inorganic Chemistry | 1,999 | 38 | 2906 | 2916 | 10.1021/ic980715r | 0.71073 | MoKα | 0.0922 | 0.0813 | null | 0.2379 | 0.2084 | null | null | null | 2.392 | 2.392 | 2.392 | null | null | null | has coordinates | Umberto Casellato; Sergio Tamburini; Patrizia Tomasin; Pietro A. Vigato; Silvio Aime; Mauro Botta
Synthesis, X-ray Structure, and Solution NMR Studies of Ln(III) Complexes with a Macrocyclic Asymmetric Compartmental Schiff Base. Preference of the Ln(III) Ions for a Crown-Like Coordination Site
Inorganic Chemistry
38
(1... | 211,332 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,006,288 | 7.0565 | 0.0007 | 7.0565 | 0.0007 | 25.371 | 0.004 | 90 | null | 90 | null | 90 | null | 1,263.3 | 0.3 | 153 | 2 | 153 | 2 | null | null | null | null | 3 | P 42/m n m | -P 4n 2n | 136 | - Ba3 S7 Zr2 - | - Ba3 S7 Zr2 - | - Ba12 S28 Zr8 - | 4 | 0.25 | BR1173 | Yi-Chung Hung; James C. Fettinger; Bryan W. Eichhorn | Ba~3~Zr~2~S~7~, the Low-Temperature Polymorph | Acta Crystallographica Section C | 1,997 | 53 | 7 | 827 | 829 | 10.1107/S0108270197003089 | 0.71073 | MoKα | 0.0591 | 0.0366 | null | 0.0937 | 0.0846 | null | null | null | 1.027 | 1.129 | 1.129 | null | null | null | has coordinates | Yi-Chung Hung; James C. Fettinger; Bryan W. Eichhorn
Ba~3~Zr~2~S~7~, the Low-Temperature Polymorph
Acta Crystallographica Section C
53(7)
(1997)
827-829 | 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/2/00/62/2006288.cif $
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2,006,289 | 16.1059 | 0.0004 | 11.5721 | 0.0002 | 17.6135 | 0.0003 | 90 | null | 90 | null | 90 | null | 3,282.79 | 0.11 | 296 | null | null | null | null | null | null | null | 5 | P b c a | null | - C18 H18 Cu N2 O2 - | - C18 H18 Cu N2 O2 - | - C144 H144 Cu8 N16 O16 - | 8 | 1 | CF1145 | Jem-Mau Lo; Hsueh-Hua Yao; Fen-Ling Liao; Sue-Lein Wang; Tian-Huey Lu | [<i>N</i>,<i>N</i>'-Bis(salicylidene)-1,2-diimino-2-methylpropane]copper(II) | Acta Crystallographica Section C | 1,997 | 53 | 7 | 848 | 850 | 10.1107/S010827019700262X | 0.71073 | MoKα | null | 0.0343 | null | null | 0.0408 | null | null | null | null | 0.99 | 0.99 | null | null | null | has coordinates | Jem-Mau Lo; Hsueh-Hua Yao; Fen-Ling Liao; Sue-Lein Wang; Tian-Huey Lu
[<i>N</i>,<i>N</i>'-Bis(salicylidene)-1,2-diimino-2-methylpropane]copper(II)
Acta Crystallographica Section C
53(7)
(1997)
848-850 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,290 | 18.848 | 0.004 | 14.692 | 0.003 | 7.333 | 0.002 | 90 | null | 92.58 | 0.03 | 90 | null | 2,028.6 | 0.8 | 293.2 | null | 293.2 | null | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | - C12 H16 F12 N4 P2 Pt - | - C12 H16 F12 N4 P2 Pt0.5 - | - C48 H64 F48 N16 P8 Pt2 - | 4 | 0.5 | CF1148 | Kato, Masako; Kosuge, Chizuko; Yano, Shigenobu; Kimura, Masaru | π-Stacking of [Pt(2,2'-bipyridine)(ethylenediamine)]^2+^ as its Hexafluorophosphate Salt | Acta Crystallographica Section C | 1,997 | 53 | 7 | 838 | 840 | 10.1107/S0108270197002618 | 0.71073 | MoKα | null | 0.0406 | null | null | 0.0511 | null | null | null | null | 1.044 | 1.044 | null | null | null | has coordinates | Kato, Masako; Kosuge, Chizuko; Yano, Shigenobu; Kimura, Masaru
π-Stacking of [Pt(2,2'-bipyridine)(ethylenediamine)]^2+^ as its Hexafluorophosphate Salt
Acta Crystallographica Section C
53(7)
(1997)
838-840 | 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/2/00/62/2006290.cif $
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2,006,291 | 10.732 | 0.002 | 8.945 | 0.001 | 10.145 | 0.001 | 90 | null | 115.81 | 0.01 | 90 | null | 876.7 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | E-3,5-Dichloro-3,5-bis(chloromethyl)-1,2,4-trioxolane | - C4 H4 Cl4 O3 - | - C4 H4 Cl4 O3 - | - C16 H16 Cl16 O12 - | 4 | 1 | CF1150 | Griesbaum, Karl; McCullough, Kevin J.; Perner, Iris; Quinkert, Ralf-Olaf; Rosair, Georgina M. | (<i>E</i>)-3,5-Dichloro-3,5-bis(chloromethyl)-1,2,4-trioxolane | Acta Crystallographica Section C | 1,997 | 53 | 7 | 911 | 913 | 10.1107/S0108270197003661 | 0.71073 | MoKα | 0.0487 | 0.0362 | null | 0.095 | 0.0873 | null | null | null | 1.061 | 1.096 | 1.096 | null | null | null | has coordinates | Griesbaum, Karl; McCullough, Kevin J.; Perner, Iris; Quinkert, Ralf-Olaf; Rosair, Georgina M.
(<i>E</i>)-3,5-Dichloro-3,5-bis(chloromethyl)-1,2,4-trioxolane
Acta Crystallographica Section C
53(7)
(1997)
911-913 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,292 | 13.301 | 0.002 | 32.674 | 0.006 | 20.381 | 0.005 | 90 | null | 91.29 | 0.02 | 90 | null | 8,855 | 3 | 210 | 0.2 | 210 | 0.2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | [N-(2,6-Diisopropylphenyl)imido-N] bis[N-(2,6-Diisopropylphenyl)amido-N] bis(pyridine-N) zirconium | - C46 H63 N5 Zr - | - C46 H63 N5 Zr - | - C368 H504 N40 Zr8 - | 8 | 2 | CF1159 | Blake, Alexander J.; Nikonov, Georgii I.; Mountford, Philip | Bis[<i>N</i>-(2,6-diisopropylphenyl)amido][<i>N</i>-(2,6-diisopropylphenyl)imido]bis(pyridine-<i>N</i>)zirconium | Acta Crystallographica Section C | 1,997 | 53 | 7 | 874 | 876 | 10.1107/S0108270197002606 | 0.71073 | MoKα | 0.1324 | 0.0987 | null | 0.1126 | 0.0981 | null | null | null | null | 1.14 | 1.14 | null | null | null | has coordinates | Blake, Alexander J.; Nikonov, Georgii I.; Mountford, Philip
Bis[<i>N</i>-(2,6-diisopropylphenyl)amido][<i>N</i>-(2,6-diisopropylphenyl)imido]bis(pyridine-<i>N</i>)zirconium
Acta Crystallographica Section C
53(7)
(1997)
874-876 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006292.cif $
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4,322,060 | 16.092 | 0.004 | 7.974 | 0.004 | 16.819 | 0.002 | 90 | null | 99.64 | 0.01 | 90 | null | 2,127.7 | 1.2 | 20 | null | 20 | null | null | null | null | null | 7 | P 1 21/n 1 | -P 2yn | 14 | - C18 H27 B Cu F4 N6 O - | - C72 H108 B4 Cu4 F16 N24 O4 - | - C72 H108 B4 Cu4 F16 N24 O4 - | null | null | Hiromasa Kurosaki; Kentarou Hayashi; Yoshinobu Ishikawa; Masafumi Goto; Kazufumi Inada; Isao Taniguchi; Mitsuhiko Shionoya; Eiichi Kimura | New Robust Bleomycin Analogues: Synthesis, Spectroscopy, and Crystal Structures of the Copper(II) Complexes | Inorganic Chemistry | 1,999 | 38 | 2824 | 2832 | 10.1021/ic980510i | 1.5418 | CuKalpha | null | 0.04 | null | null | 0.025 | null | null | null | null | 1.67 | 1.67 | null | null | null | has coordinates | Hiromasa Kurosaki; Kentarou Hayashi; Yoshinobu Ishikawa; Masafumi Goto; Kazufumi Inada; Isao Taniguchi; Mitsuhiko Shionoya; Eiichi Kimura
New Robust Bleomycin Analogues: Synthesis, Spectroscopy, and Crystal Structures of the Copper(II) Complexes
Inorganic Chemistry
38
(1999)
2824-2832 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
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2,006,293 | 10.161 | 0.002 | 15.585 | 0.003 | 12.519 | 0.003 | 90 | null | 103.95 | 0.02 | 90 | null | 1,924 | 0.7 | 298 | null | 298 | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 1,3-diphenyl-2-tricyclo[3.3.1.1^3,7^]dec-2-ylidenepropane-1,3-diimine | - C25 H26 N2 - | - C25 H26 N2 - | - C100 H104 N8 - | 4 | 1 | DE1050 | Ching-Fa Yao; Yuh-Shih Chen; Wen-Chang Chen; Ren-Shyang Sheu; Jen-Kou Lai; Chuen-Her Ueng | 1,3-Diphenyl-2-tricyclo[3.3.1.1^3,7^]dec-2-ylidenepropane-1,3-diimine, and its -1-imino-3-one and -1,3-dione Derivatives | Acta Crystallographica Section C | 1,997 | 53 | 7 | 956 | 959 | 10.1107/S0108270197002746 | 0.71069 | MoKα | 0.069 | 0.047 | null | 0.042 | 0.041 | null | null | null | null | 4.03 | 4.03 | null | null | null | has coordinates | Ching-Fa Yao; Yuh-Shih Chen; Wen-Chang Chen; Ren-Shyang Sheu; Jen-Kou Lai; Chuen-Her Ueng
1,3-Diphenyl-2-tricyclo[3.3.1.1^3,7^]dec-2-ylidenepropane-1,3-diimine, and its -1-imino-3-one and -1,3-dione Derivatives
Acta Crystallographica Section C
53(7)
(1997)
956-959 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,006,294 | 10.196 | 0.001 | 15.478 | 0.001 | 12.664 | 0.003 | 90 | null | 106.36 | 0.01 | 90 | null | 1,917.6 | 0.5 | 298 | null | 298 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 1,3-Diphenyl-2-tricyclo[3,3,1,1^3,7^]dec -2-ylidenepropane-1-imino-3-one | - C25 H25 N O - | - C25 H25 N O - | - C100 H100 N4 O4 - | 4 | 1 | DE1050 | Ching-Fa Yao; Yuh-Shih Chen; Wen-Chang Chen; Ren-Shyang Sheu; Jen-Kou Lai; Chuen-Her Ueng | 1,3-Diphenyl-2-tricyclo[3.3.1.1^3,7^]dec-2-ylidenepropane-1,3-diimine, and its -1-imino-3-one and -1,3-dione Derivatives | Acta Crystallographica Section C | 1,997 | 53 | 7 | 956 | 959 | 10.1107/S0108270197002746 | 0.71069 | MoKα | 0.08 | 0.043 | null | 0.034 | 0.033 | null | null | null | null | 2.8 | 2.8 | null | null | null | has coordinates | Ching-Fa Yao; Yuh-Shih Chen; Wen-Chang Chen; Ren-Shyang Sheu; Jen-Kou Lai; Chuen-Her Ueng
1,3-Diphenyl-2-tricyclo[3.3.1.1^3,7^]dec-2-ylidenepropane-1,3-diimine, and its -1-imino-3-one and -1,3-dione Derivatives
Acta Crystallographica Section C
53(7)
(1997)
956-959 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,295 | 15.46 | 0.007 | 10.128 | 0.002 | 12.68 | 0.003 | 90 | null | 101.67 | 0.02 | 90 | null | 1,944.4 | 1.1 | 298 | null | 298 | null | null | null | null | null | 3 | I 1 2/c 1 | -I 2yc | 15 | 1,3-Diphenyl-2-tricyclo[3,3,1,1^3,7^]dec -2-ylidenepropane-1,3-dione | - C25 H24 O2 - | - C25 H24 O2 - | - C100 H96 O8 - | 4 | 0.5 | DE1050 | Ching-Fa Yao; Yuh-Shih Chen; Wen-Chang Chen; Ren-Shyang Sheu; Jen-Kou Lai; Chuen-Her Ueng | 1,3-Diphenyl-2-tricyclo[3.3.1.1^3,7^]dec-2-ylidenepropane-1,3-diimine, and its -1-imino-3-one and -1,3-dione Derivatives | Acta Crystallographica Section C | 1,997 | 53 | 7 | 956 | 959 | 10.1107/S0108270197002746 | 0.71069 | MoKα | 0.068 | 0.048 | null | 0.042 | 0.042 | null | null | null | null | 4.7 | 4.7 | null | null | null | has coordinates | Ching-Fa Yao; Yuh-Shih Chen; Wen-Chang Chen; Ren-Shyang Sheu; Jen-Kou Lai; Chuen-Her Ueng
1,3-Diphenyl-2-tricyclo[3.3.1.1^3,7^]dec-2-ylidenepropane-1,3-diimine, and its -1-imino-3-one and -1,3-dione Derivatives
Acta Crystallographica Section C
53(7)
(1997)
956-959 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006295.cif $
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2,006,296 | 8.293 | 0.001 | 9.589 | 0.002 | 22.698 | 0.004 | 90 | null | 90 | null | 90 | null | 1,805 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 6α,7β-dihydroxyvouacapan-17β-oic acid | - C20 H28 O5 - | - C20 H28 O5 - | - C80 H112 O20 - | 4 | 1 | FG1165 | Ruggiero, Silvana Guilardi; Rodrigues, Bernardo Lages; Fernandes, Nelson Goncalves; Stefani, Guglielmo Marconi; Veloso, Dorila Pilo | 6α,7β-Dihydroxyvouacapan-17β-oic Acid | Acta Crystallographica Section C | 1,997 | 53 | 7 | 982 | 984 | 10.1107/S0108270196014904 | 0.71073 | MoKα | 0.075 | 0.0492 | null | 0.1581 | 0.1357 | null | null | null | 1.216 | 1.215 | 1.215 | null | null | null | has coordinates | Ruggiero, Silvana Guilardi; Rodrigues, Bernardo Lages; Fernandes, Nelson Goncalves; Stefani, Guglielmo Marconi; Veloso, Dorila Pilo
6α,7β-Dihydroxyvouacapan-17β-oic Acid
Acta Crystallographica Section C
53(7)
(1997)
982-984 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006296.cif $
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4,322,059 | 13.978 | 0.006 | 8.103 | 0.003 | 18.037 | 0.005 | 90 | null | 98.61 | 0.03 | 90 | null | 2,019.9 | 1.3 | 20 | null | 20 | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C16 H23 Cl Cu N6 O5 - | - C64 H92 Cl4 Cu4 N24 O20 - | - C64 H92 Cl4 Cu4 N24 O20 - | null | null | Hiromasa Kurosaki; Kentarou Hayashi; Yoshinobu Ishikawa; Masafumi Goto; Kazufumi Inada; Isao Taniguchi; Mitsuhiko Shionoya; Eiichi Kimura | New Robust Bleomycin Analogues: Synthesis, Spectroscopy, and Crystal Structures of the Copper(II) Complexes | Inorganic Chemistry | 1,999 | 38 | 2824 | 2832 | 10.1021/ic980510i | 0.7107 | MoKalpha | null | 0.053 | null | null | 0.044 | null | null | null | null | 2.87 | 2.87 | null | null | null | has coordinates | Hiromasa Kurosaki; Kentarou Hayashi; Yoshinobu Ishikawa; Masafumi Goto; Kazufumi Inada; Isao Taniguchi; Mitsuhiko Shionoya; Eiichi Kimura
New Robust Bleomycin Analogues: Synthesis, Spectroscopy, and Crystal Structures of the Copper(II) Complexes
Inorganic Chemistry
38
(1999)
2824-2832 | 301,838 | 2025-08-20 | 22:17:36 | #------------------------------------------------------------------------------
#$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $
#$Revision: 301838 $
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2,006,297 | 19.239 | 0.003 | 10.5 | 0.002 | 15.696 | 0.002 | 90 | null | 90 | null | 90 | null | 3,170.7 | 0.9 | 143 | 2 | 143 | 2 | null | null | null | null | 5 | P n a 21 | P 2c -2n | 33 | Cyclotetra[iodo-methylcyclopentadienyl-μ-oxo-titanium (IV)] | - C24 H28 I4 O4 Ti4 - | - C24 H28 I4 O4 Ti4 - | - C96 H112 I16 O16 Ti16 - | 4 | 1 | FG1201 | Kienitz, Carsten O.; Thöne, Carsten; Jones, Peter G. | <i>cyclo</i>-Tetrakis(μ-oxo)tetrakis[iodo(η^5^-methylcyclopentadienyl)titanium(IV)] | Acta Crystallographica Section C | 1,997 | 53 | 7 | 843 | 845 | 10.1107/S0108270196007524 | 0.71073 | MoKα | 0.1167 | 0.0766 | null | 0.186 | 0.1578 | null | null | null | 1.018 | 1.046 | 1.046 | null | null | null | has coordinates | Kienitz, Carsten O.; Thöne, Carsten; Jones, Peter G.
<i>cyclo</i>-Tetrakis(μ-oxo)tetrakis[iodo(η^5^-methylcyclopentadienyl)titanium(IV)]
Acta Crystallographica Section C
53(7)
(1997)
843-845 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006297.cif $
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2,006,298 | 7.638 | 0.002 | 10.603 | 0.003 | 14.364 | 0.005 | 107.63 | 0.02 | 94.57 | 0.02 | 107.12 | 0.02 | 1,041.2 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | bis(phenyl)-1-carbamoylguanidinium phenylcarbamidonitrilate | - C22 H21 N7 O2 - | - C22 H21 N7 O2 - | - C44 H42 N14 O4 - | 2 | 1 | FG1255 | Frank H. Herbstein; Moshe Kapon; Quin-Chuang Yang | Bis(phenyl)-1-carbamoylguanidinium <i>N</i>-Phenylcarbamidonitrilate. Revision of an Earlier Proposal | Acta Crystallographica Section C | 1,997 | 53 | 7 | 922 | 925 | 10.1107/S0108270197003259 | 0.71073 | MoKα | 0.0519 | 0.0389 | null | 0.1007 | 0.092 | null | null | null | 1.062 | 1.091 | 1.091 | null | null | null | has coordinates | Frank H. Herbstein; Moshe Kapon; Quin-Chuang Yang
Bis(phenyl)-1-carbamoylguanidinium <i>N</i>-Phenylcarbamidonitrilate. Revision of an Earlier Proposal
Acta Crystallographica Section C
53(7)
(1997)
922-925 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/62/2006298.cif $
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2,006,299 | 17.489 | 0.01 | 5.415 | 0.004 | 21.805 | 0.012 | 90 | null | 95.08 | 0.02 | 90 | null | 2,057 | 2 | 178 | 2 | 178 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | cis-1-Cyclohexyl-6-methylene-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan- 4-methyl 3'5'-Dintrobenzoate | - C22 H24 N2 O7 - | - C22 H24 N2 O7 - | - C88 H96 N8 O28 - | 4 | 1 | FG1257 | Lautens, Mark; Lough, Alan J.; Ren, Yi | (<i>cis</i>-1-Cyclohexyl-6-methylene-3,5,6,6a-tetrahydro-1<i>H</i>-cyclopenta[<i>c</i>]furan-4-yl)methyl 3,5-Dinitrobenzoate | Acta Crystallographica Section C | 1,997 | 53 | 7 | 936 | 938 | 10.1107/S0108270197000917 | 0.71073 | MoKα | 0.216 | 0.076 | null | 0.1038 | 0.0832 | null | null | null | 1.141 | 1.65 | 1.65 | null | null | null | has coordinates,has Fobs | Lautens, Mark; Lough, Alan J.; Ren, Yi
(<i>cis</i>-1-Cyclohexyl-6-methylene-3,5,6,6a-tetrahydro-1<i>H</i>-cyclopenta[<i>c</i>]furan-4-yl)methyl 3,5-Dinitrobenzoate
Acta Crystallographica Section C
53(7)
(1997)
936-938 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,300 | 6.988 | 0.001 | 11.254 | 0.001 | 11.48 | 0.002 | 90 | null | 102.06 | 0.01 | 90 | null | 882.9 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | (+)-4-Androsten-3-one-17β-carboxylic Acid | (+)-3-Oxoandrost-4-ene-17β-carboxylic Acid | - C20 H28 O3 - | - C20 H28 O3 - | - C40 H56 O6 - | 2 | 1 | FG1258 | Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W. | (+)-3-Oxoandrost-4-ene-17β-carboxylic Acid: Catemeric Hydrogen Bonding in a Steroidal Keto Acid | Acta Crystallographica Section C | 1,997 | 53 | 7 | 903 | 906 | 10.1107/S0108270197002515 | 0.71073 | MoKα | 0.088 | 0.053 | null | 0.13 | 0.113 | null | null | null | 1.02 | 1.08 | 1.08 | null | null | null | has coordinates | Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.
(+)-3-Oxoandrost-4-ene-17β-carboxylic Acid: Catemeric Hydrogen Bonding in a Steroidal Keto Acid
Acta Crystallographica Section C
53(7)
(1997)
903-906 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/63/2006300.cif $
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4,322,058 | 11.163 | 0.005 | 11.524 | 0.004 | 13.323 | 0.004 | 93.85 | 0.03 | 94.79 | 0.03 | 107.14 | 0.03 | 1,624.5 | 1.1 | 293 | 2 | 178 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C10 H36 Cu5 Eu N12 O24.5 - | - C10 H20 Cu5 Eu N12 O24.5 - | - C20 H40 Cu10 Eu2 N24 O49 - | 2 | 1 | Ann J. Stemmler; Jeff W. Kampf; Martin L. Kirk; Bassel H. Atasi; Vincent L. Pecoraro | The Preparation, Characterization, and Magnetism of Copper 15-Metallacrown-5 Lanthanide Complexes | Inorganic Chemistry | 1,999 | 38 | 2807 | 2817 | 10.1021/ic9800233 | 0.71073 | MoKα | 0.1578 | 0.123 | null | 0.3277 | 0.2979 | null | null | null | 1.016 | 1.114 | 1.114 | null | null | null | has coordinates | Ann J. Stemmler; Jeff W. Kampf; Martin L. Kirk; Bassel H. Atasi; Vincent L. Pecoraro
The Preparation, Characterization, and Magnetism of Copper 15-Metallacrown-5 Lanthanide Complexes
Inorganic Chemistry
38
(1999)
2807-2817 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
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2,006,301 | 9.994 | 0.002 | 4.798 | 0.002 | 24.16 | 0.003 | 90 | null | 92.94 | 0.02 | 90 | null | 1,157 | 0.6 | 296 | null | 296 | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | benzene-1,3,5-triacetic acid | - C12 H12 O6 - | - C12 H12 O6 - | - C48 H48 O24 - | 4 | 1 | FG1266 | Fitzgerald, Lawrence J.; Gerkin, Roger E. | Interwoven Hydrogen-Bonding Networks in Benzene-1,3,5-triacetic Acid | Acta Crystallographica Section C | 1,997 | 53 | 7 | 967 | 969 | 10.1107/S0108270197002886 | 0.71073 | MoKα | null | 0.057 | null | null | 0.093 | null | null | null | null | 1.11 | 1.11 | null | null | null | has coordinates | Fitzgerald, Lawrence J.; Gerkin, Roger E.
Interwoven Hydrogen-Bonding Networks in Benzene-1,3,5-triacetic Acid
Acta Crystallographica Section C
53(7)
(1997)
967-969 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,302 | 7.52 | 0.003 | 12.03 | 0.003 | 13.789 | 0.005 | 73.25 | 0.03 | 89.47 | 0.02 | 89.82 | 0.02 | 1,194.5 | 0.7 | 143 | 2 | 143 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | Heptaaquacalcium 1,2-Benzenedisulfonimide | - C12 H22 Ca N2 O15 S4 - | - C12 H22 Ca N2 O15 S4 - | - C24 H44 Ca2 N4 O30 S8 - | 2 | 1 | FG1272 | Moers, Oliver; Blaschette, Armand; Jones, Peter G. | Polysulfonylamines. LXXXIII. Heptaaquacalcium 1,2-Benzenedisulfonimide | Acta Crystallographica Section C | 1,997 | 53 | 7 | 845 | 848 | 10.1107/S0108270197002102 | 0.71073 | MoKα | 0.0612 | 0.0424 | null | 0.1068 | 0.0928 | null | null | null | 1.045 | 1.048 | 1.048 | null | null | null | has coordinates | Moers, Oliver; Blaschette, Armand; Jones, Peter G.
Polysulfonylamines. LXXXIII. Heptaaquacalcium 1,2-Benzenedisulfonimide
Acta Crystallographica Section C
53(7)
(1997)
845-848 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201955 $
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2,006,303 | 19.515 | 0.003 | 5.8352 | 0.0009 | 22.854 | 0.003 | 90 | null | 90.669 | 0.009 | 90 | null | 2,602.3 | 0.7 | 295 | 2 | 295 | 2 | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | Spiro[3-carboxy-1',3'-dihydro-2-methyl-6-oxo-2-cyclohexene-1,2'-[2H]indene] | - C16 H16 O3 - | - C16 H16 O3 - | - C128 H128 O24 - | 8 | 1 | FG1273 | Lalancette, Roger A.; Thompson, Hugh W.; Coté, Marie L. | Hydrogen-Bonding Pattern of an α,β-Unsaturated δ-Keto Acid: 1',3'-Dihydro-2-methyl-6-oxospiro[2-cyclohexene-1,2'-2'<i>H</i>-indene]-3-carboxylic Acid | Acta Crystallographica Section C | 1,997 | 53 | 7 | 901 | 903 | 10.1107/S0108270197003260 | 0.71073 | MoKα | 0.092 | 0.0555 | null | 0.148 | 0.1328 | null | null | null | 0.904 | 1.069 | 1.069 | null | null | null | has coordinates | Lalancette, Roger A.; Thompson, Hugh W.; Coté, Marie L.
Hydrogen-Bonding Pattern of an α,β-Unsaturated δ-Keto Acid: 1',3'-Dihydro-2-methyl-6-oxospiro[2-cyclohexene-1,2'-2'<i>H</i>-indene]-3-carboxylic Acid
Acta Crystallographica Section C
53(7)
(1997)
901-903 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/63/2006303.cif $
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2,006,304 | 13.943 | 0.002 | 8.0371 | 0.0007 | 14.374 | 0.001 | 90 | null | 108.03 | 0.01 | 90 | null | 1,531.7 | 0.3 | 293 | 2 | null | null | null | null | null | null | 3 | P 1 21/a 1 | -P 2yab | 14 | - C17 H22 O4 - | - C17 H22 O4 - | - C68 H88 O16 - | 4 | 1 | FG1275 | Zukerman-Schpector, J.; Caracelli, I.; Malvestiti, Ivani; Cass, Quezia B.; Battiste, Merle A. | Intermediates in the Synthesis of Forskolin. I | Acta Crystallographica Section C | 1,997 | 53 | 7 | 969 | 971 | 10.1107/S0108270197002965 | 0.71073 | MoKα | 0.0797 | 0.046 | null | 0.14 | 0.1113 | null | null | null | 1.083 | 1.065 | 1.065 | null | null | null | has coordinates | Zukerman-Schpector, J.; Caracelli, I.; Malvestiti, Ivani; Cass, Quezia B.; Battiste, Merle A.
Intermediates in the Synthesis of Forskolin. I
Acta Crystallographica Section C
53(7)
(1997)
969-971 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,057 | 16.319 | 0.002 | 21.863 | 0.002 | 18.41 | 0.003 | 90 | null | 96.85 | 0.01 | 90 | null | 6,521.5 | 1.5 | 178 | 2 | 178 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C45 H55 Cu5 Eu N19 O24 - | - C48 H62 Cu5 Eu N19 O25 - | - C192 H248 Cu20 Eu4 N76 O100 - | 4 | 1 | Ann J. Stemmler; Jeff W. Kampf; Martin L. Kirk; Bassel H. Atasi; Vincent L. Pecoraro | The Preparation, Characterization, and Magnetism of Copper 15-Metallacrown-5 Lanthanide Complexes | Inorganic Chemistry | 1,999 | 38 | 2807 | 2817 | 10.1021/ic9800233 | 0.71073 | MoKα | 0.1262 | 0.0463 | null | 0.0935 | 0.075 | null | null | null | 0.737 | 0.935 | 0.935 | null | null | null | has coordinates | Ann J. Stemmler; Jeff W. Kampf; Martin L. Kirk; Bassel H. Atasi; Vincent L. Pecoraro
The Preparation, Characterization, and Magnetism of Copper 15-Metallacrown-5 Lanthanide Complexes
Inorganic Chemistry
38
(1999)
2807-2817 | 179,323 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:20:49 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179323 $
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2,006,305 | 19.578 | 0.005 | 14.508 | 0.003 | 7.979 | 0.002 | 90 | null | 106.21 | 0.02 | 90 | null | 2,176.2 | 0.9 | 178 | 2 | 178 | 2 | null | null | null | null | 2 | C 1 2/c 1 | -C 2yc | 15 | 1,2,3,4,5,6-hexakispropylidene-cyclohexane | - C24 H36 - | - C24 H36 - | - C96 H144 - | 4 | 0.5 | FG1289 | Jones, Peter G.; Bubenitschek, Peter; Höpfner, Thomas; Hopf, Henning | All-<i>E</i>-7,8,9,10,11,12-hexaethyl[6]radialene | Acta Crystallographica Section C | 1,997 | 53 | 7 | 920 | 921 | 10.1107/S0108270197003582 | 0.71073 | MoKα | 0.1408 | 0.0635 | null | 0.2205 | 0.1576 | null | null | null | 1.008 | 0.996 | 0.996 | null | null | null | has coordinates | Jones, Peter G.; Bubenitschek, Peter; Höpfner, Thomas; Hopf, Henning
All-<i>E</i>-7,8,9,10,11,12-hexaethyl[6]radialene
Acta Crystallographica Section C
53(7)
(1997)
920-921 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/63/2006305.cif $
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2,006,306 | 12.614 | 0.004 | 6.607 | 0.002 | 12.921 | 0.004 | 90 | null | 94.59 | 0.03 | 90 | null | 1,073.4 | 0.6 | 143 | 2 | 143 | 2 | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | 3,4-Diido-2,5-dimethylhexa-2,4-diene | - C8 H12 I2 - | - C8 H12 I2 - | - C32 H48 I8 - | 4 | 0.5 | FG1291 | Jones, Peter G.; Bubenitschek, Peter; Höpfner, Thomas; Hopf, Henning | 3,4-Diiodo-2,5-dimethylhexa-2,4-diene | Acta Crystallographica Section C | 1,997 | 53 | 7 | 918 | 920 | 10.1107/S0108270197003594 | 0.71073 | MoKα | 0.0228 | 0.0215 | null | 0.0552 | 0.054 | null | null | null | 1.109 | 1.109 | 1.109 | null | null | null | has coordinates | Jones, Peter G.; Bubenitschek, Peter; Höpfner, Thomas; Hopf, Henning
3,4-Diiodo-2,5-dimethylhexa-2,4-diene
Acta Crystallographica Section C
53(7)
(1997)
918-920 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,307 | 27.001 | 0.002 | 27.001 | 0.002 | 21.525 | 0.004 | 90 | null | 90 | null | 120 | null | 13,590 | 3 | 173 | null | 173 | null | null | null | null | null | 6 | R -3 c :H | -R 3 2"c | 167 | - C26 H36 I N2 Nd Si2 - | - C26 H36 I N2 Nd Si2 - | - C468 H648 I18 N36 Nd18 Si36 - | 18 | 0.5 | FR1006 | Clark, David L.; Gordon, John C.; Scott, Brian L.; Watkin, John G. | Iodobis(pyridine-<i>N</i>)bis(η^5^-trimethylsilylcyclopentadienyl)neodymium | Acta Crystallographica Section C | 1,997 | 53 | 7 | 850 | 852 | 10.1107/S0108270196014552 | 0.71073 | MoKα | 0.0254 | 0.0197 | null | 0.043 | 0.0413 | null | null | null | 1.058 | 1.081 | 1.081 | null | null | null | has coordinates | Clark, David L.; Gordon, John C.; Scott, Brian L.; Watkin, John G.
Iodobis(pyridine-<i>N</i>)bis(η^5^-trimethylsilylcyclopentadienyl)neodymium
Acta Crystallographica Section C
53(7)
(1997)
850-852 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,006,308 | 8.101 | 0.002 | 10.321 | 0.002 | 11.145 | 0.002 | 65.96 | 0.03 | 72.4 | 0.03 | 65.93 | 0.03 | 766.6 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C17 H15 Cl O3 - | - C17 H15 Cl O3 - | - C34 H30 Cl2 O6 - | 2 | 1 | FR1013 | Aygün, Muhi̇tti̇n; Işik, Şami̇l; Şaşmaz, Selami̇; Tahi̇r, M. Nawaz; Erdönmez, Ahmet; Büyükgüngör, Orhan | 1-(4-Chlorobenzoyloxy)-2-methoxy-4-(2-propenyl)benzene | Acta Crystallographica Section C | 1,997 | 53 | 7 | 897 | 899 | 10.1107/S0108270197000553 | 0.7107 | MoKα | 0.0736 | 0.0658 | null | 0.1883 | 0.1785 | null | null | null | 1.084 | 1.13 | 1.13 | null | null | null | has coordinates,has disorder | Aygün, Muhi̇tti̇n; Işik, Şami̇l; Şaşmaz, Selami̇; Tahi̇r, M. Nawaz; Erdönmez, Ahmet; Büyükgüngör, Orhan
1-(4-Chlorobenzoyloxy)-2-methoxy-4-(2-propenyl)benzene
Acta Crystallographica Section C
53(7)
(1997)
897-899 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,309 | 10.033 | 0.009 | 20.54 | 0.018 | 15.464 | 0.017 | 90 | null | 94.14 | 0.07 | 90 | null | 3,178 | 5 | 294 | 1 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | trans-Bis(tributylphosphine-1κP)-tetra(benzyl-1κC)-octa- μ3-chloro-octahedro-hexamolybdenum(12 Mo-Mo) | - C52 H82 Cl8 Mo6 P2 - | - C52 H82 Cl8 Mo6 P2 - | - C104 H164 Cl16 Mo12 P4 - | 2 | 0.5 | FR1022 | Yamagata, Tsuneaki; Okiyama, Hiroshi; Imoto, Hideo; Saito, Taro | <i>trans</i>-[(Mo~6~Cl~8~)(C~7~H~7~)~4~{P(<i>n</i>-C~4~H~9~)~3~}~2~] and <i>trans</i>-[(Mo~6~Cl~8~)(C~8~H~5~)~4~{P(<i>n</i>-C~5~H~11~)~3~}~2~].2C~7~H~8~ | Acta Crystallographica Section C | 1,997 | 53 | 7 | 859 | 862 | 10.1107/S0108270197002266 | 0.71069 | Mo_Kα | null | 0.062 | null | null | 0.0452 | null | null | null | null | 1.111 | 1.111 | null | null | null | has coordinates | Yamagata, Tsuneaki; Okiyama, Hiroshi; Imoto, Hideo; Saito, Taro
<i>trans</i>-[(Mo~6~Cl~8~)(C~7~H~7~)~4~{P(<i>n</i>-C~4~H~9~)~3~}~2~] and <i>trans</i>-[(Mo~6~Cl~8~)(C~8~H~5~)~4~{P(<i>n</i>-C~5~H~11~)~3~}~2~].2C~7~H~8~
Acta Crystallographica Section C
53(7)
(1997)
859-862 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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4,322,056 | 12.657 | 0.003 | 14.833 | 0.003 | 17.707 | 0.004 | 79.65 | 0.02 | 86.06 | 0.02 | 68.69 | 0.02 | 3,046.6 | 1.3 | 178 | 2 | 178 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C45 H55 Cu5 Gd N18 O24.25 - | - C45 H55 Cu5 Gd N18 O24.25 - | - C90 H110 Cu10 Gd2 N36 O48.5 - | 2 | 1 | Ann J. Stemmler; Jeff W. Kampf; Martin L. Kirk; Bassel H. Atasi; Vincent L. Pecoraro | The Preparation, Characterization, and Magnetism of Copper 15-Metallacrown-5 Lanthanide Complexes | Inorganic Chemistry | 1,999 | 38 | 2807 | 2817 | 10.1021/ic9800233 | 0.71073 | MoKα | 0.0829 | 0.0534 | null | 0.1378 | 0.1289 | null | null | null | 0.986 | 1.122 | 1.122 | null | null | null | has coordinates | Ann J. Stemmler; Jeff W. Kampf; Martin L. Kirk; Bassel H. Atasi; Vincent L. Pecoraro
The Preparation, Characterization, and Magnetism of Copper 15-Metallacrown-5 Lanthanide Complexes
Inorganic Chemistry
38
(1999)
2807-2817 | 179,323 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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#$Revision: 179323 $
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2,006,310 | 25.241 | 0.006 | 10.962 | 0.001 | 15.18 | 0.002 | 90 | null | 98.78 | 0.02 | 90 | null | 4,151 | 1.2 | 294 | 1 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C76 H102 Cl8 Mo6 P2 - | - C76 H102 Cl8 Mo6 P2 - | - C152 H204 Cl16 Mo12 P4 - | 2 | 0.5 | FR1022 | Yamagata, Tsuneaki; Okiyama, Hiroshi; Imoto, Hideo; Saito, Taro | <i>trans</i>-[(Mo~6~Cl~8~)(C~7~H~7~)~4~{P(<i>n</i>-C~4~H~9~)~3~}~2~] and <i>trans</i>-[(Mo~6~Cl~8~)(C~8~H~5~)~4~{P(<i>n</i>-C~5~H~11~)~3~}~2~].2C~7~H~8~ | Acta Crystallographica Section C | 1,997 | 53 | 7 | 859 | 862 | 10.1107/S0108270197002266 | 0.71069 | Mo_Kα | null | 0.057 | null | null | 0.0451 | null | null | null | null | 1.205 | 1.205 | null | null | null | has coordinates | Yamagata, Tsuneaki; Okiyama, Hiroshi; Imoto, Hideo; Saito, Taro
<i>trans</i>-[(Mo~6~Cl~8~)(C~7~H~7~)~4~{P(<i>n</i>-C~4~H~9~)~3~}~2~] and <i>trans</i>-[(Mo~6~Cl~8~)(C~8~H~5~)~4~{P(<i>n</i>-C~5~H~11~)~3~}~2~].2C~7~H~8~
Acta Crystallographica Section C
53(7)
(1997)
859-862 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,006,311 | 8.567 | 0.002 | 12.189 | 0.002 | 12.557 | 0.003 | 90 | null | 98.05 | 0.03 | 90 | null | 1,298.3 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | trans,cis,cis,cis-[5,5,5,5]fenestrane | rel-(4S,6R,9S,11S)-1-hydroxy-16-methyl-14-oxapentacyclo- [7.4.3.0^4,15^.0^11,15^.0^6,16^]hexadeca-7-ene | - C16 H22 O2 - | - C16 H22 O2 - | - C64 H88 O8 - | 4 | 1 | FR1026 | Wender, Paul A.; deLong, Mitch A.; Wireko, Fred C. | Novel Oxidative Rearrangement Product of the First <i>trans</i>,<i>cis</i>,<i>cis</i>,<i>cis</i>-[5.5.5.5]Fenestrane Derivative | Acta Crystallographica Section C | 1,997 | 53 | 7 | 954 | 956 | 10.1107/S0108270197002278 | 1.54059 | CopperKα | 0.0504 | 0.0469 | null | 0.1257 | 0.1226 | null | null | null | 1.08 | 1.104 | 1.104 | null | null | null | has coordinates | Wender, Paul A.; deLong, Mitch A.; Wireko, Fred C.
Novel Oxidative Rearrangement Product of the First <i>trans</i>,<i>cis</i>,<i>cis</i>,<i>cis</i>-[5.5.5.5]Fenestrane Derivative
Acta Crystallographica Section C
53(7)
(1997)
954-956 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,312 | 10.028 | 0.006 | 13.118 | 0.007 | 7.321 | 0.005 | 90 | null | 107.33 | 0.04 | 90 | null | 919.3 | 1 | 296 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C20 H16 Mn N2 O6 - | - C20 H16 Mn N2 O6 - | - C40 H32 Mn2 N4 O12 - | 2 | 0.5 | FR1028 | Okabe, Nobuo; Koizumi, Makiko | Diaquabis(2-quinolinecarboxylato-<i>N</i>,<i>O</i>)manganese(II) | Acta Crystallographica Section C | 1,997 | 53 | 7 | 852 | 854 | 10.1107/S0108270197002801 | 0.71069 | MoKα | null | 0.035 | null | null | 0.043 | null | null | null | null | 1.67 | 1.67 | null | null | null | has coordinates | Okabe, Nobuo; Koizumi, Makiko
Diaquabis(2-quinolinecarboxylato-<i>N</i>,<i>O</i>)manganese(II)
Acta Crystallographica Section C
53(7)
(1997)
852-854 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,313 | 21.574 | 0.001 | 4.5576 | 0.0009 | 17.039 | 0.002 | 90 | null | 104.238 | 0.005 | 90 | null | 1,623.9 | 0.4 | 293 | null | 293 | null | null | null | null | null | 4 | C 1 2 1 | C 2y | 5 | Methyl 2-aza-2-deoxy-4,6-di-O-methyl-2-N-(p-nitrophenylamino)-β-D-erythro- hexopyranosid-3-ulose. | - C14 H19 N3 O7 - | - C14 H19 N3 O7 - | - C56 H76 N12 O28 - | 4 | 1 | HA1186 | Bernardinelli, Gérald; Tronchet, Jeannine F.; Tronchet, Jean M.J. | Methyl 2-Aza-2-deoxy-4,6-di-<i>O</i>-methyl-2-<i>N</i>-(<i>p</i>-nitrophenylamino)-β-<small>D</small>-<i>erythro</i>-hexopyranosid-3-ulose | Acta Crystallographica Section C | 1,997 | 53 | 7 | 950 | 951 | 10.1107/S0108270197002345 | 1.5418 | CuKα | 0.12 | 0.076 | null | 0.083 | 0.074 | null | null | null | 2.172 | 2.342 | 2.342 | null | null | null | has coordinates | Bernardinelli, Gérald; Tronchet, Jeannine F.; Tronchet, Jean M.J.
Methyl 2-Aza-2-deoxy-4,6-di-<i>O</i>-methyl-2-<i>N</i>-(<i>p</i>-nitrophenylamino)-β-<small>D</small>-<i>erythro</i>-hexopyranosid-3-ulose
Acta Crystallographica Section C
53(7)
(1997)
950-951 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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7,106,508 | 9.979 | 0.005 | 11.85 | 0.003 | 11.906 | 0.005 | 76.22 | 0.14 | 73.6 | 0.12 | 66.89 | 0.08 | 1,229.2 | 1.3 | 113 | null | 113 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C34 H30 Fe7 N4 O26 - | - C34 H30 Fe7 N4 O26 - | - C34 H30 Fe7 N4 O26 - | 1 | 0.5 | Hironori Tsutsumi; Yusuke Sunada; Hideo Nagashima | New catalyst systems for iron-catalyzed hydrosilane reduction of carboxamides | Chem.Commun. | 2,011 | 47 | 6581 | 10.1039/c1cc10636h | 0.71075 | MoKα | null | 0.0247 | null | null | null | 0.0989 | null | null | null | null | null | 1.002 | null | null | has coordinates | Hironori Tsutsumi; Yusuke Sunada; Hideo Nagashima
New catalyst systems for iron-catalyzed hydrosilane reduction of carboxamides
Chem.Commun.
47
(2011)
6581 | 180,169 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 03:07:40 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180169 $
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2,006,314 | 7.956 | 0.001 | 8.456 | 0.003 | 24.587 | 0.004 | 90 | null | 96.15 | 0.02 | 90 | null | 1,644.6 | 0.7 | 298.2 | null | 298.2 | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C18 H14 Cl N3 O2 - | - C18 H14 Cl N3 O2 - | - C72 H56 Cl4 N12 O8 - | 4 | 1 | HA1188 | Daniel E. Bacelo; Osvaldo Cox; Luis A. Rivera; Marisol Cordero; Songping D. Huang | (<i>E</i>,<i>Z</i>)-2-(2-Chloro-5-nitrostyryl)-1-(1-propenyl)benzimidazole | Acta Crystallographica Section C | 1,997 | 53 | 7 | 907 | 909 | 10.1107/S0108270197004071 | 0.7107 | MoKα | null | 0.0538 | null | null | 0.0731 | null | null | null | null | 1.626 | 1.626 | null | null | null | has coordinates | Daniel E. Bacelo; Osvaldo Cox; Luis A. Rivera; Marisol Cordero; Songping D. Huang
(<i>E</i>,<i>Z</i>)-2-(2-Chloro-5-nitrostyryl)-1-(1-propenyl)benzimidazole
Acta Crystallographica Section C
53(7)
(1997)
907-909 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/63/2006314.cif $
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2,006,315 | 14.025 | 0.002 | 14.025 | 0.002 | 14.025 | 0.002 | 90 | null | 90 | null | 90 | null | 2,758.7 | 0.7 | 293 | null | 293 | null | null | null | null | null | 3 | P a -3 | -P 2ac 2ab 3 | 205 | - Be4 N6 O19 - | - Be4 N6 O19 - | - Be32 N48 O152 - | 8 | 0.333333 | JZ1166 | Haley, Martin J.; Wallwork, Stephen C.; Duffin, Bryan; Logan, Norman; Addison, C. Clifford | Hexa-μ-nitrato-μ~4~-oxo-tetraberyllium | Acta Crystallographica Section C | 1,997 | 53 | 7 | 829 | 830 | 10.1107/S010827019700303X | 1.54184 | CuKα | null | 0.047 | null | null | 0.025 | null | null | null | null | 1.076 | 1.076 | null | null | null | has coordinates | Haley, Martin J.; Wallwork, Stephen C.; Duffin, Bryan; Logan, Norman; Addison, C. Clifford
Hexa-μ-nitrato-μ~4~-oxo-tetraberyllium
Acta Crystallographica Section C
53(7)
(1997)
829-830 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,316 | 7.254 | 0.004 | 11.914 | 0.002 | 14.953 | 0.002 | 90 | null | 100.34 | 0.03 | 90 | null | 1,271.3 | 0.8 | 295.2 | null | 295.2 | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C11 H14 Cl N3 O3 - | - C11 H14 Cl N3 O3 - | - C44 H56 Cl4 N12 O12 - | 4 | 1 | JZ1177 | Chunqiu P. Lai; Liu Bo; Songping D. Huang | 4-Amino-2-chloro-6,7-dimethoxyquinazoline Methanol Solvate | Acta Crystallographica Section C | 1,997 | 53 | 7 | 906 | 907 | 10.1107/S0108270197001236 | 0.7107 | MoKα | null | 0.0416 | null | null | 0.0546 | null | null | null | null | 1.484 | 1.484 | null | null | null | has coordinates | Chunqiu P. Lai; Liu Bo; Songping D. Huang
4-Amino-2-chloro-6,7-dimethoxyquinazoline Methanol Solvate
Acta Crystallographica Section C
53(7)
(1997)
906-907 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,317 | 9.933 | 0.002 | 17.111 | 0.003 | 12.076 | 0.002 | 90 | null | 108.21 | 0.02 | 90 | null | 1,949.7 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | μ-bromo-μ-cyclohexylphosphido-bis(tetracarbonylmanganese) | - C14 H12 Br Mn2 O8 P - | - C14 H12 Br Mn2 O8 P - | - C56 H48 Br4 Mn8 O32 P4 - | 4 | 1 | KA1213 | Flörke, Ulrich; Haupt, Hans-Jürgen | μ-Bromo-μ-cyclohexylphosphido-bis(tetracarbonylmanganese) and μ-Bromo-μ-(pentacarbonylmanganese)phosphido-bis(tetracarbonylmanganese) | Acta Crystallographica Section C | 1,997 | 53 | 7 | 876 | 879 | 10.1107/S0108270197000735 | 0.71073 | MoKα | 0.1277 | 0.0448 | null | 0.0994 | 0.0723 | null | null | null | 1.032 | 1.069 | 1.069 | null | null | null | has coordinates | Flörke, Ulrich; Haupt, Hans-Jürgen
μ-Bromo-μ-cyclohexylphosphido-bis(tetracarbonylmanganese) and μ-Bromo-μ-(pentacarbonylmanganese)phosphido-bis(tetracarbonylmanganese)
Acta Crystallographica Section C
53(7)
(1997)
876-879 | 198,601 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-07-10 18:33:26 +0300 (Mon, 10 Jul 2017) $
#$Revision: 198601 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/63/2006317.cif $
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2,006,318 | 8.735 | 0.002 | 8.953 | 0.001 | 13.837 | 0.004 | 81.57 | 0.02 | 84.59 | 0.02 | 74.68 | 0.02 | 1,030.6 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | μ-bromo-μ-(pentacarbonylmanganese)phosphido-bis(tetracarbonylmanganese) | - C13 H Br Mn3 O13 P - | - C13 H Br Mn3 O13 P - | - C26 H2 Br2 Mn6 O26 P2 - | 2 | 1 | KA1213 | Flörke, Ulrich; Haupt, Hans-Jürgen | μ-Bromo-μ-cyclohexylphosphido-bis(tetracarbonylmanganese) and μ-Bromo-μ-(pentacarbonylmanganese)phosphido-bis(tetracarbonylmanganese) | Acta Crystallographica Section C | 1,997 | 53 | 7 | 876 | 879 | 10.1107/S0108270197000735 | 0.71073 | MoKα | 0.0616 | 0.0398 | null | 0.0951 | 0.0861 | null | null | null | 1.018 | 1.067 | 1.067 | null | null | null | has coordinates | Flörke, Ulrich; Haupt, Hans-Jürgen
μ-Bromo-μ-cyclohexylphosphido-bis(tetracarbonylmanganese) and μ-Bromo-μ-(pentacarbonylmanganese)phosphido-bis(tetracarbonylmanganese)
Acta Crystallographica Section C
53(7)
(1997)
876-879 | 198,601 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-07-10 18:33:26 +0300 (Mon, 10 Jul 2017) $
#$Revision: 198601 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/63/2006318.cif $
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7,106,507 | 9.57 | 0.002 | 10.081 | 0.002 | 13.754 | 0.002 | 72.313 | 0.004 | 73.227 | 0.004 | 73.558 | 0.004 | 1,182.3 | 0.4 | 173 | null | 173 | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | Octapropyl tetracene-1,2,3,4,7,8,9,10-octacarboxylate | Octapropyl tetracene-1,2,3,4,7,8,9,10-octacarboxylate | - C50 H60 O16 - | - C50 H60 O16 - | - C50 H60 O16 - | 1 | 0.5 | Chitoshi Kitamura; Akira Takenaka; Takeshi Kawase; Takashi Kobayashi; Hiroyoshi Naito; | Octaalkyl tetracene-1,2,3,4,7,8,9,10-octacarboxylates: synthesis by twofold [2+2+2] cocyclization and crystallochromy | Chem.Commun. | 2,011 | null | 6653 | 10.1039/c1cc11655j | x-ray | 0.71073 | MoKα | 0.1546 | 0.0805 | null | null | 0.2098 | 0.2587 | null | null | null | null | null | 0.969 | null | null | has coordinates,has disorder | Chitoshi Kitamura; Akira Takenaka; Takeshi Kawase; Takashi Kobayashi; Hiroyoshi Naito;
Octaalkyl tetracene-1,2,3,4,7,8,9,10-octacarboxylates: synthesis by twofold [2+2+2] cocyclization and crystallochromy
Chem.Commun.
(2011)
6653 | 301,853 | 2025-08-21 | 21:50:04 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 00:26:11 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301853 $
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2,006,319 | 10.579 | 0.001 | 18.1356 | 0.0009 | 17.507 | 0.002 | 90 | null | 106.044 | 0.006 | 90 | null | 3,228 | 0.5 | 298 | 2 | 298 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | Bis(dicyclohexylammonium) 2,6-pyridinedicarboxylate dihydrate | - C31 H55 N3 O6 - | - C31 H55 N3 O6 - | - C124 H220 N12 O24 - | 4 | 1 | KH1129 | Ng, Seik Weng | Bis(dicyclohexylammonium) 2,6-Pyridinedicarboxylate Dihydrate | Acta Crystallographica Section C | 1,997 | 53 | 7 | 986 | 987 | 10.1107/S010827019700293X | 0.71073 | MoKα | 0.1082 | 0.0672 | null | 0.1953 | 0.1748 | null | null | null | 1.107 | 1.317 | 1.317 | null | null | null | has coordinates | Ng, Seik Weng
Bis(dicyclohexylammonium) 2,6-Pyridinedicarboxylate Dihydrate
Acta Crystallographica Section C
53(7)
(1997)
986-987 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/63/2006319.cif $
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2,006,320 | 7.929 | 0.001 | 11.001 | 0.002 | 12.436 | 0.002 | 75.54 | 0.01 | 83.54 | 0.01 | 89.78 | 0.01 | 1,043.4 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C23 H21 N O6 S - | - C23 H21 N O6 S - | - C46 H42 N2 O12 S2 - | 2 | 1 | KH1141 | Lakshmanan Govindasamy; Velmurugan, D.; Ravikumar, K.; Mohanakrishnan, A.K. | Ethyl 4,6-Dimethoxy-9-phenylsulfonylcarbazole-3-carboxylate | Acta Crystallographica Section C | 1,997 | 53 | 7 | 929 | 931 | 10.1107/S010827019700351X | 0.71073 | MoKα | 0.046 | 0.0383 | null | 0.128 | 0.111 | null | null | null | 0.626 | 0.598 | 0.598 | null | null | null | has coordinates | Lakshmanan Govindasamy; Velmurugan, D.; Ravikumar, K.; Mohanakrishnan, A.K.
Ethyl 4,6-Dimethoxy-9-phenylsulfonylcarbazole-3-carboxylate
Acta Crystallographica Section C
53(7)
(1997)
929-931 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,321 | 26.162 | 0.007 | 26.162 | 0.007 | 13.633 | 0.005 | 90 | null | 90 | null | 120 | null | 8,081 | 4 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | R -3 :H | -R 3 | 148 | tetrakis(μ-benzoato-O:O')-bis(urea-O')dicopper(II), | - C30 H28 Cu2 N4 O10 - | - C30 H28 Cu2 N4 O10 - | - C270 H252 Cu18 N36 O90 - | 9 | 0.5 | MU1294 | Leban, Ivan; Grgurevič, Nikolaj; Sieler, Joachim; Šegedin, Primož | Tetrakis(μ-benzoato-<i>O</i>:<i>O</i>')bis(urea)-1κ<i>O</i>,2κ<i>O</i>-dicopper(II) | Acta Crystallographica Section C | 1,997 | 53 | 7 | 854 | 856 | 10.1107/S0108270197003387 | 0.71073 | MoKα | 0.1588 | 0.0621 | null | 0.2588 | 0.1985 | null | null | null | 0.99 | 1.15 | 1.15 | null | null | null | has coordinates | Leban, Ivan; Grgurevič, Nikolaj; Sieler, Joachim; Šegedin, Primož
Tetrakis(μ-benzoato-<i>O</i>:<i>O</i>')bis(urea)-1κ<i>O</i>,2κ<i>O</i>-dicopper(II)
Acta Crystallographica Section C
53(7)
(1997)
854-856 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,322 | 9.673 | 0.008 | 11.935 | 0.009 | 11.478 | 0.008 | 90 | null | 105.22 | null | 90 | null | 1,278.6 | 1.7 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21 1 | P 2yb | 4 | - C23 H29 Cl3 Mo N2 O4 - | - C23 H28 Cl3 Mo N2 O4 - | - C46 H56 Cl6 Mo2 N4 O8 - | 2 | 1 | MU1300 | Elias, Horst; Stock, Frank; Röhr, Caroline | A Dioxomolybdenum(VI) Complex with a New Enantiomerically Pure Tetrahydrosalen Ligand | Acta Crystallographica Section C | 1,997 | 53 | 7 | 862 | 864 | 10.1107/S0108270197003375 | 0.7107 | MoKα | 0.0391 | 0.0389 | null | 0.1014 | 0.101 | null | null | null | 1.066 | 1.068 | 1.068 | null | null | null | has coordinates | Elias, Horst; Stock, Frank; Röhr, Caroline
A Dioxomolybdenum(VI) Complex with a New Enantiomerically Pure Tetrahydrosalen Ligand
Acta Crystallographica Section C
53(7)
(1997)
862-864 | 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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2,006,323 | 15.0089 | 0.0014 | 16.952 | 0.002 | 22.124 | 0.002 | 90 | null | 96.172 | 0.006 | 90 | null | 5,596.4 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 6,7-dihydro-8-(4-methyl-1-piperazinyl)[1]benzoxepino[4,5-c]quinoline | - C22 H23.26 N3 O1.13 - | - C22 H23.2867 N3 O1.14333 - | - C264 H279.44 N36 O13.72 - | 12 | 3 | NA1266 | Giorgi, Gianluca; Cappelli, Andrea; Anzini, Maurizio; Vomero, Salvatore; Marchetti, Fabio | Characterization of Quinoline Derivatives. I. 6,7-Dihydro-8-(4-methyl-1-piperazinyl)[1]benzoxepino[4,5-<i>c</i>]quinoline 0.13-Hydrate | Acta Crystallographica Section C | 1,997 | 53 | 7 | 987 | 990 | 10.1107/S0108270196014564 | 0.71073 | MoKα | 0.1875 | 0.0694 | null | 0.1628 | 0.1143 | null | null | null | 0.934 | 1.212 | 1.212 | null | null | null | has coordinates | Giorgi, Gianluca; Cappelli, Andrea; Anzini, Maurizio; Vomero, Salvatore; Marchetti, Fabio
Characterization of Quinoline Derivatives. I. 6,7-Dihydro-8-(4-methyl-1-piperazinyl)[1]benzoxepino[4,5-<i>c</i>]quinoline 0.13-Hydrate
Acta Crystallographica Section C
53(7)
(1997)
987-990 | 194,474 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-03-24 12:00:48 +0200 (Fri, 24 Mar 2017) $
#$Revision: 194474 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/63/2006323.cif $
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7,106,506 | 9.8822 | 0.0007 | 27.2631 | 0.0005 | 8.2149 | 0.0006 | 90 | null | 65.161 | 0.008 | 90 | null | 2,008.5 | 0.2 | 200 | null | 200 | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | Octaethyl tetracene-1,2,3,4,7,8,9,10-octacarboxylate | Octaethyl tetracene-1,2,3,4,7,8,9,10-octacarboxylate | - C42 H44 O16 - | - C42 H44 O16 - | - C84 H88 O32 - | 2 | 0.5 | Chitoshi Kitamura; Akira Takenaka; Takeshi Kawase; Takashi Kobayashi; Hiroyoshi Naito; | Octaalkyl tetracene-1,2,3,4,7,8,9,10-octacarboxylates: synthesis by twofold [2+2+2] cocyclization and crystallochromy | Chem.Commun. | 2,011 | null | 6653 | 10.1039/c1cc11655j | x-ray | 1.54178 | CuKα | 0.0561 | 0.0526 | null | null | 0.1498 | 0.1533 | null | null | null | null | null | 1.074 | null | null | has coordinates | Chitoshi Kitamura; Akira Takenaka; Takeshi Kawase; Takashi Kobayashi; Hiroyoshi Naito;
Octaalkyl tetracene-1,2,3,4,7,8,9,10-octacarboxylates: synthesis by twofold [2+2+2] cocyclization and crystallochromy
Chem.Commun.
(2011)
6653 | 301,853 | 2025-08-21 | 21:50:04 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 00:26:11 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301853 $
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2,006,324 | 11.52 | 0.001 | 4.7 | 0.001 | 12.04 | 0.001 | 90 | null | 95.44 | 0.01 | 90 | null | 648.96 | 0.16 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 2/c 1 | -P 2yc | 13 | - C13 H24 N2 O - | - C13 H24 N2 O - | - C26 H48 N4 O2 - | 2 | 0.5 | NA1270 | Govindasamy, L.; Subramanian, E. | <i>N</i>,<i>N</i>'-Dicyclohexylurea | Acta Crystallographica Section C | 1,997 | 53 | 7 | 927 | 928 | 10.1107/S0108270197003399 | 1.5418 | CuKα | 0.123 | 0.0646 | null | 0.1807 | 0.161 | null | null | null | 0.93 | 1.127 | 1.127 | null | null | null | has coordinates | Govindasamy, L.; Subramanian, E.
<i>N</i>,<i>N</i>'-Dicyclohexylurea
Acta Crystallographica Section C
53(7)
(1997)
927-928 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,325 | 10.956 | 0.001 | 14.626 | 0.001 | 7.606 | 0.001 | 93.66 | 0.01 | 92.06 | 0.01 | 92.59 | 0.01 | 1,214.2 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C26 H22 N2 O6 S2 - | - C26 H22 N2 O6 S2 - | - C52 H44 N4 O12 S4 - | 2 | 1 | NA1278 | Subramanian, E.; Govindasamy, L.; Ravichandran, K. | <i>trans</i>-Methyl 2,9-Bis(phenylsulfonyl)-1,2,3,4-tetrahydro-4-β-carbolinylideneacetate | Acta Crystallographica Section C | 1,997 | 53 | 7 | 925 | 927 | 10.1107/S010827019700228X | 0.71069 | MoKα | 0.0798 | 0.0435 | null | 0.1657 | 0.1037 | null | null | null | 1.074 | 0.833 | 0.833 | null | null | null | has coordinates | Subramanian, E.; Govindasamy, L.; Ravichandran, K.
<i>trans</i>-Methyl 2,9-Bis(phenylsulfonyl)-1,2,3,4-tetrahydro-4-β-carbolinylideneacetate
Acta Crystallographica Section C
53(7)
(1997)
925-927 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,326 | 9.826 | 0.002 | 17.899 | 0.004 | 10.307 | 0.002 | 90 | null | 115.56 | 0.03 | 90 | null | 1,635.3 | 0.7 | 291 | 1 | 291 | 1 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 4,7-Bis[4'-chlorophenyl]-3,8-dihydro-1,2,5,6-dithiadiazocine | - C16 H12 Cl2 N2 S2 - | - C16 H12 Cl2 N2 S2 - | - C64 H48 Cl8 N8 S8 - | 4 | 1 | NA1282 | Beate M. Rymarczyk; Hans Preut; Richard P. Kreher | An Eight-Membered N,N,S,S-Heterocyclic Compound: 4,7-Bis(4-chlorophenyl)-3,8-dihydro-1,2,5,6-dithiadiazocine | Acta Crystallographica Section C | 1,997 | 53 | 7 | 931 | 933 | 10.1107/S0108270197002588 | 0.71069 | MoKα | 0.0908 | 0.0629 | null | 0.177 | 0.1637 | null | null | null | 0.988 | 1.166 | 1.166 | null | null | null | has coordinates | Beate M. Rymarczyk; Hans Preut; Richard P. Kreher
An Eight-Membered N,N,S,S-Heterocyclic Compound: 4,7-Bis(4-chlorophenyl)-3,8-dihydro-1,2,5,6-dithiadiazocine
Acta Crystallographica Section C
53(7)
(1997)
931-933 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,327 | 8.8496 | 0.0013 | 14.8198 | 0.0019 | 8.3661 | 0.0014 | 90 | null | 92.221 | 0.005 | 90 | null | 1,096.4 | 0.3 | 295 | null | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C18 H22 Cl6 O2 - | - C18 H22 Cl6 O2 - | - C36 H44 Cl12 O4 - | 2 | 1 | NA1283 | Ülkü, Dinçer; Tahir, M. Nawaz; Demir, Ayhan S.; Akhmedov, Idris, M.; Tanyeli, Cihangir | Configuration of the Diels–Alder Adduct of Hexachlorocyclopentadiene with <small>L</small>-Menthyl Acrylate | Acta Crystallographica Section C | 1,997 | 53 | 7 | 899 | 901 | 10.1107/S0108270197003533 | 0.71069 | MoKα | null | 0.049 | null | null | 0.056 | null | null | null | null | 1.18 | 1.18 | null | null | null | has coordinates | Ülkü, Dinçer; Tahir, M. Nawaz; Demir, Ayhan S.; Akhmedov, Idris, M.; Tanyeli, Cihangir
Configuration of the Diels–Alder Adduct of Hexachlorocyclopentadiene with <small>L</small>-Menthyl Acrylate
Acta Crystallographica Section C
53(7)
(1997)
899-901 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,328 | 9.672 | 0.003 | 9.672 | 0.003 | 9.834 | 0.003 | 90 | null | 90 | null | 120 | null | 796.7 | 0.4 | 298 | null | 298 | null | null | null | null | null | 5 | P -3 | -P 3 | 147 | manganese fluorosilicate hexahydrate | manganese hexafluorosilicate-water (1/6) | - F6 H12 Mn O6 Si - | - F6 H12 Mn O6 Si - | - F18 H36 Mn3 O18 Si3 - | 3 | 0.5 | OH1098 | Torii, Akira; Ogawa, Kazuhide; Tamura, Hatsue; Osaki, Kenji | Room-Temperature Form of Manganese Hexafluorosilicate Hexahydrate: a New Model with Submicroscopic Twinning | Acta Crystallographica Section C | 1,997 | 53 | 7 | 833 | 836 | 10.1107/S0108270196015454 | 1.5418 | CuKα | null | 0.04 | null | null | 0.04 | null | null | null | null | 1.39 | 1.39 | null | null | null | has coordinates | Torii, Akira; Ogawa, Kazuhide; Tamura, Hatsue; Osaki, Kenji
Room-Temperature Form of Manganese Hexafluorosilicate Hexahydrate: a New Model with Submicroscopic Twinning
Acta Crystallographica Section C
53(7)
(1997)
833-836 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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7,106,505 | 5.9021 | 0.0002 | 12.0619 | 0.0003 | 12.1167 | 0.0009 | 114.388 | 0.008 | 95.781 | 0.007 | 95.404 | 0.007 | 772.81 | 0.09 | 200 | null | 200 | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | Octamethyl tetracene-1,2,3,4,7,8,9,10-octacarboxylate | Octamethyl tetracene-1,2,3,4,7,8,9,10-octacarboxylate | - C34 H28 O16 - | - C34 H28 O16 - | - C34 H28 O16 - | 1 | 0.5 | Chitoshi Kitamura; Akira Takenaka; Takeshi Kawase; Takashi Kobayashi; Hiroyoshi Naito | Octaalkyl tetracene-1,2,3,4,7,8,9,10-octacarboxylates: synthesis by twofold [2+2+2] cocyclization and crystallochromy | Chemical Communications | 2,011 | 47 | 6653 | 6655 | 10.1039/c1cc11655j | x-ray | 1.54178 | CuKα | 0.0759 | 0.0598 | null | null | 0.1593 | 0.1686 | null | null | null | null | null | 1.065 | null | null | has coordinates | Chitoshi Kitamura; Akira Takenaka; Takeshi Kawase; Takashi Kobayashi; Hiroyoshi Naito
Octaalkyl tetracene-1,2,3,4,7,8,9,10-octacarboxylates: synthesis by twofold [2+2+2] cocyclization and crystallochromy
Chemical Communications
47
(2011)
6653-6655 | 301,853 | 2025-08-21 | 21:50:04 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 00:26:11 +0300 (Fri, 22 Aug 2025) $
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2,006,329 | 5.7009 | 0.0008 | 10.509 | 0.002 | 9.42 | 0.002 | 123.78 | 0.01 | 102.66 | 0.01 | 94.08 | 0.01 | 444.53 | 0.16 | 293 | null | 293 | null | null | null | null | null | 2 | P -1 | -P 1 | 2 | - C18 F16 - | - C18 F16 - | - C18 F16 - | 1 | 0.5 | PA1195 | Swenson, Dale C.; Morken, Peter A.; Burton, Donald J. | Three <i>trans</i>-Diphenylperfluorotrienes | Acta Crystallographica Section C | 1,997 | 53 | 7 | 946 | 950 | 10.1107/S0108270197000504 | 0.71073 | MoKα | 0 | 0.053 | null | null | 0.061 | null | null | null | null | 1.031 | 1.031 | null | null | null | has coordinates | Swenson, Dale C.; Morken, Peter A.; Burton, Donald J.
Three <i>trans</i>-Diphenylperfluorotrienes
Acta Crystallographica Section C
53(7)
(1997)
946-950 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,330 | 5.899 | 0.0007 | 9.509 | 0.001 | 9.304 | 0.001 | 102.75 | 0.01 | 94.62 | 0.01 | 115.92 | 0.01 | 448.4 | 0.1 | 293 | null | 293 | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C20 H10 F10 - | - C20 H10 F10 - | - C20 H10 F10 - | 1 | 0.5 | PA1195 | Swenson, Dale C.; Morken, Peter A.; Burton, Donald J. | Three <i>trans</i>-Diphenylperfluorotrienes | Acta Crystallographica Section C | 1,997 | 53 | 7 | 946 | 950 | 10.1107/S0108270197000504 | 1.54184 | CuKα | 0 | 0.042 | null | null | 0.067 | null | null | null | null | 1.194 | 1.194 | null | null | null | has coordinates | Swenson, Dale C.; Morken, Peter A.; Burton, Donald J.
Three <i>trans</i>-Diphenylperfluorotrienes
Acta Crystallographica Section C
53(7)
(1997)
946-950 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,331 | 10.2071 | null | 17.6882 | null | 5.9376 | null | 90 | null | 97.52 | null | 90 | null | 1,062.79 | null | 291 | null | 291 | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C22 H10 F14 - | - C22 H10 F14 - | - C44 H20 F28 - | 2 | 0.5 | PA1195 | Swenson, Dale C.; Morken, Peter A.; Burton, Donald J. | Three <i>trans</i>-Diphenylperfluorotrienes | Acta Crystallographica Section C | 1,997 | 53 | 7 | 946 | 950 | 10.1107/S0108270197000504 | 0.71073 | MoKα | 0 | 0.052 | null | null | 0.065 | null | null | null | null | 1.057 | 1.057 | null | null | null | has coordinates | Swenson, Dale C.; Morken, Peter A.; Burton, Donald J.
Three <i>trans</i>-Diphenylperfluorotrienes
Acta Crystallographica Section C
53(7)
(1997)
946-950 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,006,332 | 14.156 | 0.001 | 19.536 | 0.003 | 9.2244 | 0.0004 | 90 | null | 105.01 | 0.003 | 90 | null | 2,464 | 0.4 | 293 | null | 293 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | di-μ-bromo-bis{[(2,4,6-tris-tert-butylphenyl)phosphanediylmethyl-P]phenyl)- dipalladium | - C50 H68 Br2 P2 Pd2 - | - C50 H68 Br2 P2 Pd2 - | - C100 H136 Br4 P4 Pd4 - | 2 | 0.5 | PA1251 | Chentit, Mostafa; Geoffroy, Michel; Bernardinelli, Gérald | Di-μ-bromo-bis{[(2,4,6-tris-<i>tert</i>-butylphenyl)phosphanediylmethyl-<i>P</i>]phenyl-<i>C</i>^2^}dipalladium | Acta Crystallographica Section C | 1,997 | 53 | 7 | 866 | 868 | 10.1107/S0108270197003235 | 1.54183 | CuKα | 0.055 | 0.043 | null | 0.035 | 0.034 | null | null | null | 2.228 | 2.399 | 2.399 | null | null | null | has coordinates | Chentit, Mostafa; Geoffroy, Michel; Bernardinelli, Gérald
Di-μ-bromo-bis{[(2,4,6-tris-<i>tert</i>-butylphenyl)phosphanediylmethyl-<i>P</i>]phenyl-<i>C</i>^2^}dipalladium
Acta Crystallographica Section C
53(7)
(1997)
866-868 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
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7,106,504 | 6.1538 | 0.0011 | 21.31 | 0.004 | 11.187 | 0.002 | 90 | null | 95.366 | 0.008 | 90 | null | 1,460.6 | 0.5 | 296 | 2 | 296 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | - C15 H17 N O3 S - | - C15 H17 N O3 S - | - C60 H68 N4 O12 S4 - | 4 | 2 | Abraham L. Moure; Ramon Gomez Arrayas; Juan C. Carretero | Catalytic asymmetric conjugate boration of ?,?-unsaturated sulfones | Chem.Commun. | 2,011 | 47 | 6701 | 10.1039/c1cc11949d | 0.71073 | MoKα | 0.0591 | 0.0524 | null | null | 0.1481 | 0.1592 | null | null | null | null | null | 1.034 | null | null | has coordinates | Abraham L. Moure; Ramon Gomez Arrayas; Juan C. Carretero
Catalytic asymmetric conjugate boration of ?,?-unsaturated sulfones
Chem.Commun.
47
(2011)
6701 | 301,853 | 2025-08-21 | 21:50:04 | #------------------------------------------------------------------------------
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2,006,333 | 11.379 | 0.002 | 21.004 | 0.004 | 15.488 | 0.003 | 90 | null | 94.26 | 0.03 | 90 | null | 3,691.5 | 1.2 | 296 | 2 | 296 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | Bis bistriphenylphosphineimine dodecasulfurdiirion | - C72 H60 Fe2 N2 P4 S12 - | - C72 H60 Fe2 N2 P4 S12 - | - C144 H120 Fe4 N4 P8 S24 - | 2 | 0.5 | QB0004 | van Hal, Jaap W.; Whitmire, Kenton H. | Bis[bis(triphenylphosphine)iminium] Di-μ-thio-bis[(pentasulfido)ferrate(III)] | Acta Crystallographica Section C | 1,997 | 53 | 7 | IUC9700008 | 10.1107/S0108270197099484 | 0.71073 | MoKα | 0.0701 | 0.0398 | null | 0.1176 | 0.0946 | null | null | null | 1.037 | 1.071 | 1.071 | null | null | null | has coordinates | van Hal, Jaap W.; Whitmire, Kenton H.
Bis[bis(triphenylphosphine)iminium] Di-μ-thio-bis[(pentasulfido)ferrate(III)]
Acta Crystallographica Section C
53(7)
(1997)
IUC9700008 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,006,334 | 7.318 | 0.0015 | 5.673 | 0.0011 | 9.989 | 0.002 | 90 | null | 110.79 | 0.03 | 90 | null | 387.69 | 0.15 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | oxazolidinone | 2-oxazolidinone | - C3 H5 N O2 - | - C3 H5 N O2 - | - C12 H20 N4 O8 - | 4 | 1 | SK1055 | Wouters, Johan; Ooms, Frederic; Durant, Francois | 2-Oxazolidinone | Acta Crystallographica Section C | 1,997 | 53 | 7 | 895 | 897 | 10.1107/S0108270197003752 | 1.54178 | CuKα | 0.0395 | 0.039 | null | 0.1 | 0.0995 | null | null | null | 1.12 | 1.134 | 1.134 | null | null | null | has coordinates | Wouters, Johan; Ooms, Frederic; Durant, Francois
2-Oxazolidinone
Acta Crystallographica Section C
53(7)
(1997)
895-897 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
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2,006,335 | 11.735 | 0.001 | 9.683 | 0.001 | 11.985 | 0.001 | 90 | null | 118.87 | 0.01 | 90 | null | 1,192.6 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | (2S)-cis-1-benzyloxycarbonyl-(5R)-(2S-hydroxyphenylethyl)-proline tert-butyl ester | - C25 H31 N O5 - | - C25 H31 N O5 - | - C50 H62 N2 O10 - | 2 | 1 | SK1080 | Soave, Raffaella; Roversi, Pietro; Destro, Riccardo | Two 1,5-Disubstituted Proline Esters | Acta Crystallographica Section C | 1,997 | 53 | 7 | 933 | 936 | 10.1107/S0108270197001248 | 0.71073 | MoKa | 0.0354 | 0.0299 | null | 0.0827 | 0.0802 | null | null | null | 1.018 | 1.067 | 1.067 | null | null | null | has coordinates,has disorder | Soave, Raffaella; Roversi, Pietro; Destro, Riccardo
Two 1,5-Disubstituted Proline Esters
Acta Crystallographica Section C
53(7)
(1997)
933-936 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
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2,006,336 | 11.456 | 0.001 | 9.708 | 0.001 | 12.024 | 0.001 | 90 | null | 116.79 | 0.01 | 90 | null | 1,193.7 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | (2S)-cis-1-benzyloxycarbonyl-(5R)-(2R-hydroxyphenylethyl)-proline tert-butyl ester. | - C25 H31 N O5 - | - C25 H31 N O5 - | - C50 H62 N2 O10 - | 2 | 1 | SK1080 | Soave, Raffaella; Roversi, Pietro; Destro, Riccardo | Two 1,5-Disubstituted Proline Esters | Acta Crystallographica Section C | 1,997 | 53 | 7 | 933 | 936 | 10.1107/S0108270197001248 | 0.71073 | MoKa | 0.0487 | 0.031 | null | 0.0676 | 0.0633 | null | null | null | 0.891 | 0.992 | 0.992 | null | null | null | has coordinates | Soave, Raffaella; Roversi, Pietro; Destro, Riccardo
Two 1,5-Disubstituted Proline Esters
Acta Crystallographica Section C
53(7)
(1997)
933-936 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,337 | 5.946 | 0.002 | 16.441 | 0.004 | 9.582 | 0.002 | 90 | null | 100.14 | 0.02 | 90 | null | 922.1 | 0.4 | 292 | null | 292 | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | N-(2-pyridinium)urea perchlorate | - C6 H8 Cl N3 O5 - | - C6 H8 Cl N3 O5 - | - C24 H32 Cl4 N12 O20 - | 4 | 1 | SK1081 | Velichka Velikova; Olyana Angelova; Rosica Petrova; Krasimir Kossev | <i>N</i>-(2-Pyridinium)urea Perchlorate | Acta Crystallographica Section C | 1,997 | 53 | 7 | 971 | 973 | 10.1107/S0108270197003156 | 0.71073 | MoKα | 0.0638 | 0.0363 | null | 0.0824 | 0.0737 | null | null | null | 0.948 | 1.042 | 1.042 | null | null | null | has coordinates | Velichka Velikova; Olyana Angelova; Rosica Petrova; Krasimir Kossev
<i>N</i>-(2-Pyridinium)urea Perchlorate
Acta Crystallographica Section C
53(7)
(1997)
971-973 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,338 | 12.041 | 0.002 | 10.731 | 0.002 | 13.011 | 0.002 | 90 | null | 106.49 | 0.02 | 90 | null | 1,612 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | 3β,4β-Epoxy-5β-androstan-17-one' | - C19 H28 O2 - | - C19 H28 O2 - | - C76 H112 O8 - | 4 | 2 | SK1084 | Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S. | 3β,4β-Epoxy-5β-androstan-17-one | Acta Crystallographica Section C | 1,997 | 53 | 7 | 938 | 940 | 10.1107/S0108270197002138 | 0.71073 | MoKα | 0.0708 | 0.0383 | null | 0.0958 | 0.0872 | null | null | null | 1.027 | 1.087 | 1.087 | null | null | null | has coordinates | Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.
3β,4β-Epoxy-5β-androstan-17-one
Acta Crystallographica Section C
53(7)
(1997)
938-940 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
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7,106,503 | 8.2209 | 0.0002 | 8.9923 | 0.0003 | 13.813 | 0.0004 | 90 | null | 90 | null | 90 | null | 1,021.12 | 0.05 | 100 | 2 | 100 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C7 H16 Cl N O4 - | - C7 H16 Cl N O4 - | - C28 H64 Cl4 N4 O16 - | 4 | 1 | Fowler, Lindsay S.; Thomas, Lynne H.; Ellis, David; Sutherland, Andrew | A one-pot, reductive amination/6-endo-trig cyclisation for the stereoselective synthesis of 6-substituted-4-oxopipecolic acids | Chemical Communications (Cambridge, United Kingdom) | 2,011 | 47 | 23 | 6569 | 6571 | 10.1039/c1cc11916h | 0.71073 | MoKα | 0.0352 | 0.0283 | null | null | null | 0.0639 | null | null | null | null | null | 1.057 | null | null | has coordinates | Fowler, Lindsay S.; Thomas, Lynne H.; Ellis, David; Sutherland, Andrew
A one-pot, reductive amination/6-endo-trig cyclisation for the stereoselective synthesis of 6-substituted-4-oxopipecolic acids
Chemical Communications (Cambridge, United Kingdom)
47(23)
(2011)
6569-6571 | 301,853 | 2025-08-21 | 21:50:04 | #------------------------------------------------------------------------------
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2,006,339 | 4.7378 | 0.0003 | 7.5284 | 0.0006 | 13.1036 | 0.0011 | 87.836 | 0.007 | 86.108 | 0.006 | 77.183 | 0.006 | 454.56 | 0.06 | 130 | 2 | 130 | 2 | null | null | null | null | 4 | P 1 | P 1 | 1 | lactosylurea | 4-O-beta-D-galactopyranosyl-D-glucopyranosyl urea | - C13 H28 N2 O13 - | - C13 H28 N2 O13 - | - C13 H28 N2 O13 - | 1 | 1 | SX1015 | Marilyn M. Olmstead; Ming Hu; Mark J. Kurth; John M. Krochta; You-Lo Hsieh | Lactosylurea Dihydrate | Acta Crystallographica Section C | 1,997 | 53 | 7 | 915 | 916 | 10.1107/S0108270197002849 | 1.54178 | CuKα | 0.0275 | 0.0271 | null | 0.0694 | 0.0689 | null | null | null | 1.072 | 1.072 | 1.072 | null | null | null | has coordinates | Marilyn M. Olmstead; Ming Hu; Mark J. Kurth; John M. Krochta; You-Lo Hsieh
Lactosylurea Dihydrate
Acta Crystallographica Section C
53(7)
(1997)
915-916 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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