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|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,001,238 | 13.454 | 0.001 | 7.317 | 0.001 | 15.181 | 0.001 | 90 | null | 90 | null | 90 | null | 1,494.5 | 0.3 | 293 | null | 293 | null | null | null | null | null | 5 | P n m a | -P 2ac 2n | 62 | 2-(N-acetyl)imino-3-isopropyl-5-methyl-4-phenyl-4-thiazoline | - C15 H18 N2 O S - | - C15 H18 N2 O S - | - C60 H72 N8 O4 S4 - | 4 | 0.5 | AB1085 | Declercq, J.-P.; De Kimpe, N.; Boelens, M. | X-ray crystallographic analysis of 2-acetylimino-3-isopropyl-5-methyl-4-phenyl-2,3-dihydro-1,3-thiazole | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1978 | 1980 | 10.1107/S0108270193005669 | 1.54178 | CopperKα | null | 0.054 | null | null | 0.072 | null | null | null | null | 0.75 | 0.75 | null | null | null | has coordinates | Declercq, J.-P.; De Kimpe, N.; Boelens, M.
X-ray crystallographic analysis of 2-acetylimino-3-isopropyl-5-methyl-4-phenyl-2,3-dihydro-1,3-thiazole
Acta Crystallographica Section C
49(11)
(1993)
1978-1980 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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7,205,676 | 15.178 | 0.005 | 6.09 | 0.002 | 26.47 | 0.008 | 90 | null | 102.28 | 0.01 | 90 | null | 2,390.7 | 1.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 1,3-bis(4-pyridyl)-2,4-bis(-3(4-pyridyl)propenoyl)cyclobutane | 1,3-bis(4-pyridyl)-2,4-bis(-3(4-pyridyl)propenoyl)cyclobutane | - C30 H24 N4 O2 - | - C30 H24 N4 O2 - | - C120 H96 N16 O8 - | 4 | 1 | Santra, Ramkinkar; Biradha, Kumar | Solid state double [2 + 2] photochemical reactions in the co-crystal forms of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one: establishing mechanism using single crystal X-ray, UV and 1H NMR | CrystEngComm | 2,011 | 13 | 9 | 3246 | 10.1039/c0ce00612b | 0.71073 | MoKα | 0.1758 | 0.0761 | null | null | 0.1718 | 0.2028 | null | null | null | null | null | 0.966 | null | null | has coordinates | Santra, Ramkinkar; Biradha, Kumar
Solid state double [2 + 2] photochemical reactions in the co-crystal forms of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one: establishing mechanism using single crystal X-ray, UV and 1H NMR
CrystEngComm
13(9)
(2011)
3246 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
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2,001,239 | 15.885 | 0.004 | 7.804 | 0.001 | 10.504 | 0.001 | 90 | null | 90 | null | 90 | null | 1,302.1 | 0.4 | 291 | null | null | null | null | null | null | null | 4 | P b c n | -P 2n 2ab | null | Dimethyl 2,2'-Bipyridine-3,3'-dicarboxylate | - C14 H12 N2 O4 - | - C14 H12 N2 O4 - | - C56 H48 N8 O16 - | 4 | 0.5 | AL1057 | Rice, C. R.; Robinson, K. J.; Wallis, J. D. | Intramolecular interactions in dimethyl 2,2'-bipyridine-3,3'-dicarboxylate | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1980 | 1982 | 10.1107/S0108270193005931 | 0.71069 | MoKα | null | 0.033 | null | null | 0.035 | null | null | null | null | 0.62 | 0.62 | null | null | null | has coordinates | Rice, C. R.; Robinson, K. J.; Wallis, J. D.
Intramolecular interactions in dimethyl 2,2'-bipyridine-3,3'-dicarboxylate
Acta Crystallographica Section C
49(11)
(1993)
1980-1982 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,240 | 12.498 | 0.004 | 18.723 | 0.005 | 12.68 | 0.003 | 90 | null | 100.87 | 0.02 | 90 | null | 2,913.9 | 1.4 | 288 | null | null | null | null | null | null | null | 3 | P 1 21/a 1 | -P 2yab | null | - C33 H28 O8 - | - C33 H28 O8 - | - C132 H112 O32 - | 4 | 1 | CD1019 | Bormann, L. M.; Baughman, R. G.; Mumba, P.; Meloan, C. E. | Structure of pentaerythritol tetrabenzoate | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1982 | 1985 | 10.1107/S0108270193003579 | 1.54184 | CuKα | null | 0.052 | null | null | 0.033 | null | null | null | null | 2.48 | 2.48 | null | null | null | has coordinates | Bormann, L. M.; Baughman, R. G.; Mumba, P.; Meloan, C. E.
Structure of pentaerythritol tetrabenzoate
Acta Crystallographica Section C
49(11)
(1993)
1982-1985 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,241 | 8.961 | 0.001 | 8.979 | 0.002 | 13.92 | 0.002 | 91.12 | 0.02 | 97.66 | 0.01 | 114.75 | 0.02 | 1,004.5 | 0.3 | 294 | null | null | null | null | null | null | null | 2 | P -1 | -P 1 | 2 | - C14 Cl12 - | - C14 Cl12 - | - C28 Cl24 - | 2 | 1 | HH1067 | Gano, J. E.; Skrzypczak-Jankun, E.; Kirschbaum, K.; Lenoir, D.; Frank, R. | (<i>Z</i>)-Perchlorostilbene | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1985 | 1988 | 10.1107/S0108270193006201 | 0.71073 | MoKα | null | 0.04 | null | null | 0.055 | null | null | null | null | 1.92 | 1.92 | null | null | null | has coordinates | Gano, J. E.; Skrzypczak-Jankun, E.; Kirschbaum, K.; Lenoir, D.; Frank, R.
(<i>Z</i>)-Perchlorostilbene
Acta Crystallographica Section C
49(11)
(1993)
1985-1988 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,242 | 26.705 | 0.004 | 7.271 | 0.001 | 15.403 | 0.004 | 90 | null | 118.19 | 0.02 | 90 | null | 2,636.1 | 1 | 296 | null | 296 | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | 1,2,4-Trifluoro-3-(trifluoromethyl)-6,8-dimethylphenazine | - C15 H8 F6 N2 - | - C15 H8 F6 N2 - | - C120 H64 F48 N16 - | 8 | 1 | LI1060 | Banks, R. E.; Madany, I. M.; Pritchard, R. G. | 1,2,4-Trifluoro-6,8-dimethyl-3-trifluoromethylphenazine, C~15~H~8~F~6~N~2~, produced <i>via</i> thermolysis of perfluoro-4-azidotoluene in the presence of 2,4,6-trimethylaniline | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1988 | 1990 | 10.1107/S0108270193005773 | 0.71069 | MoKα | null | 0.067 | null | null | 0.061 | null | null | null | null | 2.483 | 2.483 | null | null | null | has coordinates | Banks, R. E.; Madany, I. M.; Pritchard, R. G.
1,2,4-Trifluoro-6,8-dimethyl-3-trifluoromethylphenazine, C~15~H~8~F~6~N~2~, produced <i>via</i> thermolysis of perfluoro-4-azidotoluene in the presence of 2,4,6-trimethylaniline
Acta Crystallographica Section C
49(11)
(1993)
1988-1990 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,243 | 7.5972 | 0.001 | 8.9585 | 0.001 | 12.672 | 0.002 | 73.824 | 0.011 | 76.383 | 0.011 | 67.823 | 0.001 | 758.76 | 0.18 | 299 | null | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C17 H18 O5 - | - C17 H18 O5 - | - C34 H36 O10 - | 2 | 1 | HH1060 | Tak, H.; Fronczek, F. R.; Fischer, N. H. | Ceratiolin from <i>Ceratiola ericoides</i> | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1990 | 1992 | 10.1107/S0108270193003981 | 1.54184 | CuKα | null | 0.042 | null | null | 0.06 | null | null | null | null | 2.857 | 2.857 | null | null | null | has coordinates | Tak, H.; Fronczek, F. R.; Fischer, N. H.
Ceratiolin from <i>Ceratiola ericoides</i>
Acta Crystallographica Section C
49(11)
(1993)
1990-1992 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,244 | 19.482 | 0.002 | 11.8207 | 0.0007 | 11.0553 | 0.0008 | 90 | null | 90 | null | 90 | null | 2,545.9 | 0.4 | 295 | 2 | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | null | - C23 H29 N O11 - | - C23 H29 N O13 - | - C92 H116 N4 O52 - | 4 | 1 | AB0308 | Czarnocki, Z.; Maurin, J. K. | Enantioselective synthesis of isoquinoline alkaloids from simple sugar. I. Structure of an oxaziridine derivative | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1992 | 1994 | 10.1107/S0108270193004433 | 1.54051 | CuKα | null | 0.0589 | null | null | 0.0828 | null | null | null | null | 3.3 | 3.3 | null | null | null | has coordinates | Czarnocki, Z.; Maurin, J. K.
Enantioselective synthesis of isoquinoline alkaloids from simple sugar. I. Structure of an oxaziridine derivative
Acta Crystallographica Section C
49(11)
(1993)
1992-1994 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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7,205,675 | 12.091 | 0.002 | 14.993 | 0.003 | 22.115 | 0.004 | 90 | null | 97.25 | 0.005 | 90 | null | 3,977 | 1.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | 2(1,5-bis(4-pyridyl)-1,4-pentadiene-3- one).2(methoxyresorcinol).(H2O) | 2(1,5-bis(4-pyridyl)-1,4-pentadiene-3-one).2(methoxyresorcinol).(H2O) | - C22 H21 N2 O4.25 - | - C22 H20 N2 O4 - | - C176 H160 N16 O32 - | 8 | 1 | Santra, Ramkinkar; Biradha, Kumar | Solid state double [2 + 2] photochemical reactions in the co-crystal forms of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one: establishing mechanism using single crystal X-ray, UV and 1H NMR | CrystEngComm | 2,011 | 13 | 9 | 3246 | 10.1039/c0ce00612b | 0.71073 | MoKα | 0.1168 | 0.0808 | null | null | 0.2041 | 0.2245 | null | null | null | null | null | 1.364 | null | null | has coordinates | Santra, Ramkinkar; Biradha, Kumar
Solid state double [2 + 2] photochemical reactions in the co-crystal forms of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one: establishing mechanism using single crystal X-ray, UV and 1H NMR
CrystEngComm
13(9)
(2011)
3246 | 202,017 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-14 22:27:35 +0300 (Sat, 14 Oct 2017) $
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2,001,245 | 7.5137 | 0.0009 | 19.178 | 0.002 | 27.731 | 0.006 | 90 | null | 90 | null | 90 | null | 3,996 | 1.1 | 298 | null | null | null | null | null | null | null | 5 | P b c a | -P 2ac 2ab | null | - C16 H30 Br N3 O4 - | - C16 H30 Br N3 O4 - | - C128 H240 Br8 N24 O32 - | 8 | 1 | AL1042 | Elding-Pontén, M. | Structure of tetraethylammonium bromide–succinimide (1/2) | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1994 | 1996 | 10.1107/S010827019300455X | 0.71069 | MoKα | null | 0.036 | null | null | 0.041 | null | null | null | null | 1.08 | 1.08 | null | null | null | has coordinates | Elding-Pontén, M.
Structure of tetraethylammonium bromide–succinimide (1/2)
Acta Crystallographica Section C
49(11)
(1993)
1994-1996 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,246 | 21.474 | 0.004 | 5.523 | 0.003 | 20.161 | 0.002 | 90 | null | 98.24 | 0.01 | 90 | null | 2,366.4 | 1.4 | 295 | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - C13 H14 Cl N - | - C13 H14 Cl N - | - C104 H112 Cl8 N8 - | 8 | 1 | CD1017 | Goeta, A. E.; Punte, G.; Rivero, B. E. | Refinement of the molecular structure of benzhydrylamine hydrochloride | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1996 | 1998 | 10.1107/S0108270193004469 | 0.7093 | MoKα | null | 0.044 | null | null | 0.045 | null | null | null | null | 1.91 | 1.91 | null | null | null | has coordinates | Goeta, A. E.; Punte, G.; Rivero, B. E.
Refinement of the molecular structure of benzhydrylamine hydrochloride
Acta Crystallographica Section C
49(11)
(1993)
1996-1998 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,247 | 11.865 | 0.003 | 11.916 | 0.001 | 13.55 | 0.002 | 90 | null | 112.97 | 0.02 | 90 | null | 1,763.8 | 0.6 | 295 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C17 H19 Cl3 N - | - C17 H20 Cl3 N - | - C68 H80 Cl12 N4 - | 4 | 1 | CD1018 | Castelletto, V.; Punte, G.; Rivero, B. E.; Bruno Blanch, L. | Conformation of 4,4'-dichloro-<i>N</i>,<i>N</i>-diethylbenzhydrylamine | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1998 | 2000 | 10.1107/S010827019300143X | 0.7093 | MoKα | null | 0.0475 | null | null | 0.0496 | null | null | null | null | 2.41 | 2.41 | null | null | null | has coordinates | Castelletto, V.; Punte, G.; Rivero, B. E.; Bruno Blanch, L.
Conformation of 4,4'-dichloro-<i>N</i>,<i>N</i>-diethylbenzhydrylamine
Acta Crystallographica Section C
49(11)
(1993)
1998-2000 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,001,248 | 6.882 | 0.005 | 17.956 | 0.003 | 9.584 | 0.007 | 90 | null | 96.06 | null | 90 | null | 1,177.7 | 1.2 | 296 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | null | - C13 H13 N O2 - | - C13 H13 N O2 - | - C52 H52 N4 O8 - | 4 | 1 | HA1046 | He, Y.; Shi, J.; Su, G. | Structure of ethyl 2-cyano-3-(4-methylphenyl)propenoate | Acta Crystallographica Section C | 1,993 | 49 | 11 | 2000 | 2002 | 10.1107/S0108270193004305 | 0.71073 | MoKα | null | 0.057 | null | null | 0.067 | null | null | null | null | 0.823 | 0.823 | null | null | null | has coordinates | He, Y.; Shi, J.; Su, G.
Structure of ethyl 2-cyano-3-(4-methylphenyl)propenoate
Acta Crystallographica Section C
49(11)
(1993)
2000-2002 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,001,249 | 13.317 | 0.005 | 7.624 | 0.001 | 19.965 | 0.008 | 90 | null | 104.15 | 0.02 | 90 | null | 1,965.5 | 1.1 | 293 | null | null | null | null | null | null | null | 4 | P 1 21/a 1 | -P 2yab | null | - C21 H24 O2 S2 - | - C21 H24 O2 S2 - | - C84 H96 O8 S8 - | 4 | 1 | SH1046 | Albert, B.; Jansen, M.; Güther, R.; Vögtle, F. | 2,11-Dithia[3.3]metacyclophane-9-carboxylic acid <i>tert</i>-butyl ester | Acta Crystallographica Section C | 1,993 | 49 | 11 | 2002 | 2003 | 10.1107/S0108270193004561 | 0.71069 | MoKα | null | 0.0558 | null | null | 0.051 | null | null | null | null | null | null | null | null | null | has coordinates | Albert, B.; Jansen, M.; Güther, R.; Vögtle, F.
2,11-Dithia[3.3]metacyclophane-9-carboxylic acid <i>tert</i>-butyl ester
Acta Crystallographica Section C
49(11)
(1993)
2002-2003 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,250 | 20.841 | 0.002 | 12.947 | 0.002 | 8.168 | 0.001 | 90 | null | 90 | null | 90 | null | 2,204 | 0.5 | 293 | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | null | - C23 H26 N2 O5 - | - C23 H26 N2 O5 - | - C92 H104 N8 O20 - | 4 | 1 | CD1011 | Valle, G.; Formaggio, F.; Crisma, M.; Toniolo, C.; Kamphuis, J. | Structure of (<i>Z</i>)-<small>L</small>-Pro-<small>D</small>-(αMe)Phe-OH | Acta Crystallographica Section C | 1,993 | 49 | 11 | 2003 | 2005 | 10.1107/S0108270193004457 | 0.7107 | MoKα | null | 0.046 | null | null | 0.053 | null | null | null | null | 1.19 | 1.19 | null | null | null | has coordinates | Valle, G.; Formaggio, F.; Crisma, M.; Toniolo, C.; Kamphuis, J.
Structure of (<i>Z</i>)-<small>L</small>-Pro-<small>D</small>-(αMe)Phe-OH
Acta Crystallographica Section C
49(11)
(1993)
2003-2005 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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7,205,674 | 8.6268 | 0.0009 | 9.6019 | 0.001 | 12.1252 | 0.0013 | 76.149 | 0.003 | 88.03 | 0.003 | 67.701 | 0.003 | 900.46 | 0.17 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | (1,5-bis(4-pyridyl)-1,4-pentadiene-3-one).(phloroglucinol) | (1,5-bis(4-pyridyl)-1,4-pentadiene-3-one).(phloroglucinol) | - C21 H18 N2 O4 - | - C21 H18 N2 O4 - | - C42 H36 N4 O8 - | 2 | 1 | Santra, Ramkinkar; Biradha, Kumar | Solid state double [2 + 2] photochemical reactions in the co-crystal forms of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one: establishing mechanism using single crystal X-ray, UV and 1H NMR | CrystEngComm | 2,011 | 13 | 9 | 3246 | 10.1039/c0ce00612b | 0.71073 | MoKα | 0.0617 | 0.0408 | null | null | 0.1282 | 0.1416 | null | null | null | null | null | 0.978 | null | null | has coordinates,has disorder | Santra, Ramkinkar; Biradha, Kumar
Solid state double [2 + 2] photochemical reactions in the co-crystal forms of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one: establishing mechanism using single crystal X-ray, UV and 1H NMR
CrystEngComm
13(9)
(2011)
3246 | 180,387 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,001,251 | 17.03 | 0.005 | 15.03 | 0.004 | 8.874 | 0.004 | 90 | null | 92.87 | null | 90 | null | 2,268.5 | 1.4 | 293 | null | null | null | null | null | null | null | 5 | P 1 21/a 1 | -P 2yab | null | - C26 H20 N2 O2 Se2 - | - C26 H20 N2 O2 Se2 - | - C104 H80 N8 O8 Se8 - | 4 | 1 | PA1036 | Warin, V.; Guelzim, A.; Baert, F.; Galet, V.; Houssin, R.; Lesieur, D. | Structure of bis(2-amino-5-benzoylphenyl) diselenide | Acta Crystallographica Section C | 1,993 | 49 | 11 | 2005 | 2007 | 10.1107/S0108270193003506 | 0.7107 | MoKα | null | 0.04 | null | null | 0.04 | null | null | null | null | 1.93 | 1.93 | null | null | null | has coordinates | Warin, V.; Guelzim, A.; Baert, F.; Galet, V.; Houssin, R.; Lesieur, D.
Structure of bis(2-amino-5-benzoylphenyl) diselenide
Acta Crystallographica Section C
49(11)
(1993)
2005-2007 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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2,001,252 | 27.961 | 0.001 | 8.154 | 0.004 | 9.34 | 0.002 | 90 | null | 90 | null | 90 | null | 2,129.5 | 1.1 | 294 | 1 | null | null | null | null | null | null | 4 | P c a 21 | P 2c -2ac | null | trans-β-ionyl-1-naphthylurethane | 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-yl naphthalenecarbamoate | - C24 H28 N O2 - | - C24 H28 N O2 - | - C96 H112 N4 O8 - | 4 | 1 | HA1043 | Beddoes, R. L.; Gorman, A. A.; Unett, D. J. | Structure of the naphthylurethane of <i>trans</i>-β-ionol, a severely nonplanar 1,3-diene | Acta Crystallographica Section C | 1,993 | 49 | 11 | 2007 | 2009 | 10.1107/S0108270193004627 | 0.71069 | MoKα | null | 0.083 | null | null | 0.081 | null | null | null | null | 2.05 | 2.05 | null | null | null | has coordinates | Beddoes, R. L.; Gorman, A. A.; Unett, D. J.
Structure of the naphthylurethane of <i>trans</i>-β-ionol, a severely nonplanar 1,3-diene
Acta Crystallographica Section C
49(11)
(1993)
2007-2009 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,001,253 | 19.214 | 0.008 | 12.727 | 0.005 | 10.451 | 0.004 | 90 | null | 98.65 | 0.04 | 90 | null | 2,526.6 | 1.8 | 293 | null | 293 | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 3-(2,5-diphenylfuryl)-3-(2,5-diphenylthienyl)sulfoxyde | - C32 H22 O2 S2 - | - C32 H22 O2 S2 - | - C128 H88 O8 S8 - | 4 | 1 | PA1041 | Ginderow, D.; Mornon, J.-P.; Erdelmeier, I.; Dansette, P.; Mansuy, D. | Structure du 2,5-diphényl-3-furyl 2,5-diphényl-3-thiényl sulfoxyde | Acta Crystallographica Section C | 1,993 | 49 | 11 | 2009 | 2012 | 10.1107/S0108270193005487 | null | CuKα | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Ginderow, D.; Mornon, J.-P.; Erdelmeier, I.; Dansette, P.; Mansuy, D.
Structure du 2,5-diphényl-3-furyl 2,5-diphényl-3-thiényl sulfoxyde
Acta Crystallographica Section C
49(11)
(1993)
2009-2012 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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2,001,254 | 6.541 | 0.003 | 29.591 | 0.012 | 5.72 | 0.002 | 90 | null | 108.33 | 0.04 | 90 | null | 1,051 | 0.8 | 293 | null | 293 | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 4-Chloro-N-(2,5-dihydro-5-oxo-2-furanyl)benzamide | - C11 H8 Cl N O3 - | - C11 H8 Cl N O3 - | - C44 H32 Cl4 N4 O12 - | 4 | 1 | PA1058 | Ginderow, D.; Valla, A.; Giraud, M.; Michaïlidis, A.; Labia, R.; Morand, A. | Structure du 4-chloro-<i>N</i>-(2,5-dihydro-5-oxo-2-furyl)benzamide, C~11~H~8~CINO~3~ | Acta Crystallographica Section C | 1,993 | 49 | 11 | 2012 | 2013 | 10.1107/S0108270193005955 | 1.5418 | CuKα | null | 0.067 | null | null | 0.073 | null | null | null | null | 1.353 | 1.353 | null | null | null | has coordinates | Ginderow, D.; Valla, A.; Giraud, M.; Michaïlidis, A.; Labia, R.; Morand, A.
Structure du 4-chloro-<i>N</i>-(2,5-dihydro-5-oxo-2-furyl)benzamide, C~11~H~8~CINO~3~
Acta Crystallographica Section C
49(11)
(1993)
2012-2013 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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2,001,255 | 14.767 | 0.001 | 8.243 | 0.002 | 15.13 | 0.001 | 90 | null | 105.36 | 0.01 | 90 | null | 1,775.9 | 0.5 | 294 | null | null | null | null | null | null | null | 4 | P 1 21/a 1 | -P 2yab | null | - C20 H14 Cl2 O4 - | - C20 H14 Cl2 O4 - | - C80 H56 Cl8 O16 - | 4 | 1 | BR1036 | Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J. | Crystal structure and photochemistry of dimethyl 9,10-dichloro-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate | Acta Crystallographica Section C | 1,993 | 49 | 11 | 2014 | 2018 | 10.1107/S0108270193004445 | 1.5418 | CuKα | null | 0.046 | null | null | 0.064 | null | null | null | null | 1.62 | 1.62 | null | null | null | has coordinates | Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J.
Crystal structure and photochemistry of dimethyl 9,10-dichloro-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate
Acta Crystallographica Section C
49(11)
(1993)
2014-2018 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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7,205,673 | 19.3013 | 0.0016 | 15.3054 | 0.0013 | 28.1176 | 0.0019 | 90 | null | 122.935 | 0.004 | 90 | null | 6,971.4 | 1 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 4(1,5-bis(4-pyridyl)-1,4-pentadiene-3- one).3(phloroglucinol).4(H2O) | 4(1,5-bis(4-pyridyl)-1,4-pentadiene-3-one).3(phloroglucinol).4(H2O) | - C78 H74 N8 O17 - | - C78 H66 N8 O17 - | - C312 H264 N32 O68 - | 4 | 1 | Santra, Ramkinkar; Biradha, Kumar | Solid state double [2 + 2] photochemical reactions in the co-crystal forms of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one: establishing mechanism using single crystal X-ray, UV and 1H NMR | CrystEngComm | 2,011 | 13 | 9 | 3246 | 10.1039/c0ce00612b | 0.71073 | MoKα | 0.1256 | 0.0592 | null | null | 0.1616 | 0.1901 | null | null | null | null | null | 1.018 | null | null | has coordinates | Santra, Ramkinkar; Biradha, Kumar
Solid state double [2 + 2] photochemical reactions in the co-crystal forms of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one: establishing mechanism using single crystal X-ray, UV and 1H NMR
CrystEngComm
13(9)
(2011)
3246 | 180,387 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,001,256 | 10.42 | 0.003 | 17.652 | 0.001 | 9.697 | 0.002 | 90 | null | 90 | null | 90 | null | 1,783.6 | 0.6 | 294 | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | null | - C20 H14 Cl2 O4 - | - C20 H14 Cl2 O4 - | - C80 H56 Cl8 O16 - | 4 | 1 | BR1036 | Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J. | Crystal structure and photochemistry of dimethyl 9,10-dichloro-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate | Acta Crystallographica Section C | 1,993 | 49 | 11 | 2014 | 2018 | 10.1107/S0108270193004445 | 1.5418 | CuKα | null | 0.039 | null | null | 0.061 | null | null | null | null | 2.04 | 2.04 | null | null | null | has coordinates | Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J.
Crystal structure and photochemistry of dimethyl 9,10-dichloro-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate
Acta Crystallographica Section C
49(11)
(1993)
2014-2018 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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2,001,257 | 9.012 | 0.004 | 13.272 | 0.008 | 7.869 | 0.006 | 94.07 | 0.06 | 97.79 | 0.05 | 88.34 | 0.04 | 930 | 1 | 294 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C20 H14 Cl2 O6 - | - C20 H14 Cl2 O6 - | - C40 H28 Cl4 O12 - | 2 | 1 | BR1036 | Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J. | Crystal structure and photochemistry of dimethyl 9,10-dichloro-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate | Acta Crystallographica Section C | 1,993 | 49 | 11 | 2014 | 2018 | 10.1107/S0108270193004445 | 1.5418 | CuKα | null | 0.087 | null | null | 0.121 | null | null | null | null | 3.7 | 3.7 | null | null | null | has coordinates | Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J.
Crystal structure and photochemistry of dimethyl 9,10-dichloro-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate
Acta Crystallographica Section C
49(11)
(1993)
2014-2018 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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2,001,258 | 10.176 | 0.001 | 12.075 | 0.002 | 8.077 | 0.001 | 108.88 | 0.01 | 112.79 | 0.01 | 83.86 | 0.01 | 865.6 | 0.2 | 294 | null | 294 | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | Dimethyl 9-formyl-9,10-dihydro-9,10-ethenoanthracene- 11,12-dicarboxylate | - C21 H16 O5 - | - C21 H16 O5 - | - C42 H32 O10 - | 2 | 1 | BR1045 | Chen, J.; Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J. | Structure of dimethyl 9-formyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate | Acta Crystallographica Section C | 1,993 | 49 | 11 | 2018 | 2019 | 10.1107/S010827019300575X | 1.5418 | CopperKα | 0.104 | 0.04 | null | 0.058 | 0.052 | null | null | null | null | 1.42 | 1.42 | null | null | null | has coordinates | Chen, J.; Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J.
Structure of dimethyl 9-formyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate
Acta Crystallographica Section C
49(11)
(1993)
2018-2019 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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2,001,259 | 7.687 | 0.003 | 11.553 | 0.005 | 16.003 | 0.008 | 90 | null | 91.26 | 0.03 | 90 | null | 1,420.8 | 1.1 | 293 | null | 293 | null | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | cerleaside-A | - C30 H46 O9 - | - C30 H46 O9 - | - C60 H92 O18 - | 2 | 1 | PA1053 | Nguyen-Ngoc, S.; Nguyen-Ngoc, H.; Khuong-Huu, F.; Khuong-Huu, Q.; Chiaroni, A.; Riche, C. | Study of cerleaside A, a glycoside from <i>Cerbera odollam</i> | Acta Crystallographica Section C | 1,993 | 49 | 11 | 2020 | 2022 | 10.1107/S0108270193004500 | 1.5418 | CuKα | null | 0.048 | null | null | 0.066 | null | null | null | null | 1.45 | 1.45 | null | null | null | has coordinates | Nguyen-Ngoc, S.; Nguyen-Ngoc, H.; Khuong-Huu, F.; Khuong-Huu, Q.; Chiaroni, A.; Riche, C.
Study of cerleaside A, a glycoside from <i>Cerbera odollam</i>
Acta Crystallographica Section C
49(11)
(1993)
2020-2022 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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2,001,260 | 5.73 | 0.001 | 15.767 | 0.006 | 8.394 | 0.001 | 90.09 | 0.01 | 104.5 | 0.02 | 90.63 | 0.01 | 734.1 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | cis-transoid-cis-7,8-dihydroxytricyclo[7.5.0.0^2,8^]tetradec-1-yl acetate | - C16 H26 O4 - | - C16 H26 O4 - | - C32 H52 O8 - | 2 | 1 | AL1053 | Ianelli, S.; Nardelli, M.; Belletti, D.; Brosse, N.; Jamart-Grégoire, B.; Caubère, P. | Structural studies of the regioselectivity of bishydroxylation of polycyclic methylenecyclobutanol derivatives | Acta Crystallographica Section C | 1,993 | 49 | 11 | 2022 | 2027 | 10.1107/S0108270193004718 | 1.54178 | CuKᾱ | 0.0512 | 0.0366 | null | 0.1076 | 0.0998 | null | null | null | 1.009 | 1.128 | 1.128 | null | null | null | has coordinates | Ianelli, S.; Nardelli, M.; Belletti, D.; Brosse, N.; Jamart-Grégoire, B.; Caubère, P.
Structural studies of the regioselectivity of bishydroxylation of polycyclic methylenecyclobutanol derivatives
Acta Crystallographica Section C
49(11)
(1993)
2022-2027 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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7,205,672 | 12.873 | 0.002 | 15.947 | 0.003 | 16.881 | 0.003 | 90 | null | 90.206 | 0.005 | 90 | null | 3,465.4 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 2(1,5-bis(4-pyridyl)-1,4-pentadiene-3- one).(phloroglucinol).4(H2O) | 2(1,5-bis(4-pyridyl)-1,4-pentadiene-3-one).(phloroglucinol).4(H2O) | - C36 H38 N4 O9 - | - C36 H30 N4 O9 - | - C144 H120 N16 O36 - | 4 | 1 | Santra, Ramkinkar; Biradha, Kumar | Solid state double [2 + 2] photochemical reactions in the co-crystal forms of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one: establishing mechanism using single crystal X-ray, UV and 1H NMR | CrystEngComm | 2,011 | 13 | 9 | 3246 | 10.1039/c0ce00612b | 0.71073 | MoKα | 0.1038 | 0.0637 | null | null | 0.1806 | 0.1999 | null | null | null | null | null | 1.221 | null | null | has coordinates | Santra, Ramkinkar; Biradha, Kumar
Solid state double [2 + 2] photochemical reactions in the co-crystal forms of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one: establishing mechanism using single crystal X-ray, UV and 1H NMR
CrystEngComm
13(9)
(2011)
3246 | 202,017 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,001,261 | 14.172 | 0.003 | 12.174 | 0.002 | 11.105 | 0.002 | 65.36 | 0.01 | 65.09 | 0.12 | 63.81 | 0.01 | 1,495.2 | 1.2 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | cis-cisoid-cis-8,9-dihydroxytricyclo[6.5.0.0^2,7^]tridec-2-yl acetate | - C15 H24 O4 - | - C15 H24 O4 - | - C60 H96 O16 - | 4 | 2 | AL1053 | Ianelli, S.; Nardelli, M.; Belletti, D.; Brosse, N.; Jamart-Grégoire, B.; Caubère, P. | Structural studies of the regioselectivity of bishydroxylation of polycyclic methylenecyclobutanol derivatives | Acta Crystallographica Section C | 1,993 | 49 | 11 | 2022 | 2027 | 10.1107/S0108270193004718 | 1.54178 | CuKᾱ | 0.0817 | 0.0492 | null | 0.1681 | 0.1351 | null | null | null | 0.924 | 1.104 | 1.104 | null | null | null | has coordinates | Ianelli, S.; Nardelli, M.; Belletti, D.; Brosse, N.; Jamart-Grégoire, B.; Caubère, P.
Structural studies of the regioselectivity of bishydroxylation of polycyclic methylenecyclobutanol derivatives
Acta Crystallographica Section C
49(11)
(1993)
2022-2027 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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2,001,262 | 10.196 | 0.002 | 9.233 | 0.002 | 20.068 | 0.004 | 90 | null | 90.33 | 0.01 | 90 | null | 1,889.2 | 0.7 | 293 | 1 | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C17 H21 N3 O6 - | - C17 H21 N3 O6 - | - C68 H84 N12 O24 - | 4 | 1 | AB1055 | Ravikumar, K.; Mehdi, S. | Structure of a cyclohexanone derivative | Acta Crystallographica Section C | 1,993 | 49 | 11 | 2027 | 2030 | 10.1107/S0108270193004809 | 0.71063 | MoKα | null | 0.056 | null | null | 0.053 | null | null | null | null | 1.92 | 1.92 | null | null | null | has coordinates | Ravikumar, K.; Mehdi, S.
Structure of a cyclohexanone derivative
Acta Crystallographica Section C
49(11)
(1993)
2027-2030 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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2,001,263 | 9.12 | 0.003 | 15.407 | 0.001 | 10.573 | 0.003 | 90 | null | 103.96 | 0.01 | 90 | null | 1,441.8 | 0.6 | 293 | null | null | null | null | null | null | null | 3 | P 1 21/a 1 | -P 2yab | null | - C17 H14 O5 - | - C17 H14 O5 - | - C68 H56 O20 - | 4 | 1 | PA1047 | Wallet, J.-C.; Gaydou, E. M.; Mas, M.; Molins, E.; Miravitlles, C. | 2-(2,3-Dimethoxyphenyl)-6-hydroxy-4<i>H</i>-1-benzopyran-4-one (6-hydroxy-2',3'-dimethoxyflavone) | Acta Crystallographica Section C | 1,993 | 49 | 11 | 2030 | 2032 | 10.1107/S0108270193005177 | 0.71073 | MoKα | null | 0.053 | null | null | 0.084 | null | null | null | null | 3 | 3 | null | null | null | has coordinates | Wallet, J.-C.; Gaydou, E. M.; Mas, M.; Molins, E.; Miravitlles, C.
2-(2,3-Dimethoxyphenyl)-6-hydroxy-4<i>H</i>-1-benzopyran-4-one (6-hydroxy-2',3'-dimethoxyflavone)
Acta Crystallographica Section C
49(11)
(1993)
2030-2032 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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2,001,264 | 19.466 | 0.005 | 9.554 | 0.002 | 18.936 | 0.004 | 90 | null | 117.5 | 0.02 | 90 | null | 3,123.8 | 1.4 | 295 | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | null | - C14 H18 O7 S - | - C14 H18 O7 S - | - C112 H144 O56 S8 - | 8 | 1 | PA1045 | Rodier, N.; Ronco, G.; Julien, R.; Postel, D.; Villa, P. | 2,4:3,5-Di-<i>O</i>-méthylène-1-<i>p</i>-toluènesulfonylxylitol | Acta Crystallographica Section C | 1,993 | 49 | 11 | 2032 | 2033 | 10.1107/S0108270193005153 | 1.5418 | CuKᾱ | null | 0.043 | null | null | 0.042 | null | null | null | null | 1.94 | 1.94 | null | null | null | has coordinates | Rodier, N.; Ronco, G.; Julien, R.; Postel, D.; Villa, P.
2,4:3,5-Di-<i>O</i>-méthylène-1-<i>p</i>-toluènesulfonylxylitol
Acta Crystallographica Section C
49(11)
(1993)
2032-2033 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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7,205,671 | 30.056 | 0.006 | 5.1055 | 0.0009 | 20.239 | 0.004 | 90 | null | 129.083 | 0.003 | 90 | null | 2,410.7 | 0.8 | 100 | 2 | 100 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C10 H14 Br N2 O3.5 - | - C10 H14 Br N2 O3.5 - | - C80 H112 Br8 N16 O28 - | 8 | 1 | Lee, Chia-Hao; Su, Fang-Yi; Lin, Yi-Hsiu; Chou, Chih-Ho; Lee, Kwang-Ming | Anion-controlled assemblies of C–H⋯O hydrogen bonded grid, stair or bilayer structures by L-shaped pyridinium salts | CrystEngComm | 2,011 | 13 | 7 | 2318 | 10.1039/c0ce00610f | 0.71073 | MoKα | 0.0424 | 0.0337 | null | null | 0.0817 | 0.088 | null | null | null | null | null | 1.052 | null | null | has coordinates | Lee, Chia-Hao; Su, Fang-Yi; Lin, Yi-Hsiu; Chou, Chih-Ho; Lee, Kwang-Ming
Anion-controlled assemblies of C–H⋯O hydrogen bonded grid, stair or bilayer structures by L-shaped pyridinium salts
CrystEngComm
13(7)
(2011)
2318 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301863 $
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2,001,265 | 11.357 | 0.001 | 11.733 | 0.001 | 15.205 | 0.001 | 91.637 | 0.008 | 111.561 | 0.007 | 96.03 | 0.009 | 1,868.9 | 0.3 | 294 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C19 H19 Cl2 N3 O2 - | - C19.5 H20 Cl2 N3 O3 - | - C78 H80 Cl8 N12 O12 - | 4 | 2 | PA1048 | Rodier, N.; Céolin, R.; Agafonov, V.; Toscani, S.; Dugué, J.; Nicolaï, E.; Teulon, J.-M. | Acide 4-{6-chloro-3-(4-chlorobenzyl)imidazo[4,5-<i>b</i>]pyridin-2-yl}-3,3-diméthylbutanoïque | Acta Crystallographica Section C | 1,993 | 49 | 11 | 2034 | 2037 | 10.1107/S0108270193005001 | 1.5418 | CuKᾱ | null | 0.048 | null | null | 0.05 | null | null | null | null | 1.79 | 1.79 | null | null | null | has coordinates | Rodier, N.; Céolin, R.; Agafonov, V.; Toscani, S.; Dugué, J.; Nicolaï, E.; Teulon, J.-M.
Acide 4-{6-chloro-3-(4-chlorobenzyl)imidazo[4,5-<i>b</i>]pyridin-2-yl}-3,3-diméthylbutanoïque
Acta Crystallographica Section C
49(11)
(1993)
2034-2037 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
#$Revision: 278247 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/12/2001265.cif $
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2,001,266 | 12.226 | 0.002 | 8.565 | 0.001 | 12.675 | 0.001 | 90 | null | 109.85 | 0.01 | 90 | null | 1,248.4 | 0.3 | 294 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C13 H14 N2 O2 - | - C13 H14 N2 O2 - | - C52 H56 N8 O8 - | 4 | 1 | PA1049 | Rodier, N.; Céolin, R.; Dugué, J.; Lepage, F. | 2,6-Diméthyl-<i>N</i>-(5-méthyl-3-isoxazolyl)benzamide | Acta Crystallographica Section C | 1,993 | 49 | 11 | 2037 | 2039 | 10.1107/S0108270193004998 | 1.5418 | CuKᾱ | null | 0.043 | null | null | 0.051 | null | null | null | null | null | null | null | null | null | has coordinates | Rodier, N.; Céolin, R.; Dugué, J.; Lepage, F.
2,6-Diméthyl-<i>N</i>-(5-méthyl-3-isoxazolyl)benzamide
Acta Crystallographica Section C
49(11)
(1993)
2037-2039 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$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/2/00/12/2001266.cif $
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2,001,267 | 13.655 | 0.001 | 5.562 | 0.001 | 17.1 | 0.002 | 90 | null | 98.82 | 0.01 | 90 | null | 1,283.4 | 0.3 | 291 | 1 | 291 | 1 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 6-(2-methylpropylthio)pyridin-2-yl methanesulfonate | - C10 H15 N O3 S2 - | - C10 H15 N O3 S2 - | - C40 H60 N4 O12 S8 - | 4 | 1 | HL1033 | Mackay, M. F.; Holan, G.; Wernert, G. T.; Winkler, D. A. | 6-(2-Methylpropylthio)-2-pyridyl methanesulfonate | Acta Crystallographica Section C | 1,993 | 49 | 11 | 2039 | 2040 | 10.1107/S0108270193005815 | 1.5418 | CopperKα | null | 0.041 | null | null | 0.059 | null | null | null | null | 1 | 1 | null | null | null | has coordinates | Mackay, M. F.; Holan, G.; Wernert, G. T.; Winkler, D. A.
6-(2-Methylpropylthio)-2-pyridyl methanesulfonate
Acta Crystallographica Section C
49(11)
(1993)
2039-2040 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$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/2/00/12/2001267.cif $
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2,001,268 | 13.394 | 0.008 | 4.718 | 0.002 | 8.084 | 0.007 | 90 | null | 103.12 | 0.02 | 90 | null | 497.5 | 0.6 | 296 | null | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C13 H9 N O2 - | - C13 H9 N O2 - | - C26 H18 N2 O4 - | 2 | 1 | OH1020 | Terao, H.; Kakuta, A.; Fukazawa, Y. | 3-Aminoxanthene-9-one | Acta Crystallographica Section C | 1,993 | 49 | 11 | 2041 | 2042 | 10.1107/S010827019300410X | 0.71073 | MoKα | null | 0.043 | null | null | 0.056 | null | null | null | null | 1.83 | 1.83 | null | null | null | has coordinates | Terao, H.; Kakuta, A.; Fukazawa, Y.
3-Aminoxanthene-9-one
Acta Crystallographica Section C
49(11)
(1993)
2041-2042 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$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/2/00/12/2001268.cif $
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2,001,269 | 11.511 | 0.003 | 15.654 | 0.005 | 12.358 | 0.005 | 90 | null | 90 | null | 90 | null | 2,226.8 | 1.3 | 294 | null | null | null | null | null | null | null | 4 | A b a 2 | A 2 -2ab | null | - C8 H20 I7 N - | - C8 H18 I7 N - | - C32 H72 I28 N4 - | 4 | null | SE1023 | Tebbe, K.-F.; Gilles, T. | Verfeinerung der Kristallstruktur des Tetraethylammoniumheptaiodids | Acta Crystallographica Section C | 1,993 | 49 | 11 | 2042 | 2045 | 10.1107/S0108270193003993 | 0.71069 | MoKα | null | 0.0321 | null | null | 0.0306 | null | null | null | null | 1.75 | 1.75 | null | null | null | has coordinates | Tebbe, K.-F.; Gilles, T.
Verfeinerung der Kristallstruktur des Tetraethylammoniumheptaiodids
Acta Crystallographica Section C
49(11)
(1993)
2042-2045 | 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/2/00/12/2001269.cif $
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7,205,670 | 10.812 | 0.002 | 11.241 | 0.002 | 13.008 | 0.002 | 88.651 | 0.004 | 86.423 | 0.004 | 73.822 | 0.004 | 1,515.4 | 0.5 | 100 | 2 | 100 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C22 H26 F6 N4 O12 S2 - | - C22 H26 F6 N4 O12 S2 - | - C44 H52 F12 N8 O24 S4 - | 2 | 1 | Lee, Chia-Hao; Su, Fang-Yi; Lin, Yi-Hsiu; Chou, Chih-Ho; Lee, Kwang-Ming | Anion-controlled assemblies of C–H⋯O hydrogen bonded grid, stair or bilayer structures by L-shaped pyridinium salts | CrystEngComm | 2,011 | 13 | 7 | 2318 | 10.1039/c0ce00610f | 0.71073 | MoKα | 0.0701 | 0.0625 | null | null | 0.1924 | 0.1991 | null | null | null | null | null | 1.128 | null | null | has coordinates | Lee, Chia-Hao; Su, Fang-Yi; Lin, Yi-Hsiu; Chou, Chih-Ho; Lee, Kwang-Ming
Anion-controlled assemblies of C–H⋯O hydrogen bonded grid, stair or bilayer structures by L-shaped pyridinium salts
CrystEngComm
13(7)
(2011)
2318 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301863 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205670.cif $
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2,001,270 | 8.9562 | 0.0004 | 7.1033 | 0.0003 | 22.744 | 0.001 | 90 | null | 90.017 | 0.004 | 90 | null | 1,446.94 | 0.11 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | methyl 4-(N-benzylamino)-6-methyl-2-oxo-3-cyclohexene-1-oate | - C16 H19 N O3 - | - C16 H19 N O3 - | - C64 H76 N4 O12 - | 4 | 1 | CR1068 | Kubicki, M.; Codding, P. W. | Methyl 4-(benzylamino)-6-methyl-2-oxo-3-cyclohexene-1-carboxylate, C~16~H~19~NO~3~ | Acta Crystallographica Section C | 1,993 | 49 | 11 | 2045 | 2046 | 10.1107/S0108270193006055 | 1.54178 | CuKα | 0.0443 | 0.041 | null | 0.114 | 0.1115 | null | null | null | 1.05 | 1.085 | 1.085 | null | null | null | has coordinates | Kubicki, M.; Codding, P. W.
Methyl 4-(benzylamino)-6-methyl-2-oxo-3-cyclohexene-1-carboxylate, C~16~H~19~NO~3~
Acta Crystallographica Section C
49(11)
(1993)
2045-2046 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$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/2/00/12/2001270.cif $
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2,001,271 | 15.214 | 0.006 | 19.077 | 0.008 | 9.991 | 0.004 | 90 | null | 90 | null | 90 | null | 2,900 | 2 | null | null | null | null | null | null | null | null | 6 | P n c a | -P 2a 2n | 60 | - C7 H13 Br2 N5 O4 Pt - | - C7 H13 Br2 N5 O4 Pt - | - C56 H104 Br16 N40 O32 Pt8 - | 8 | 1 | CD1020 | Rochon, F. D.; Melanson, R.; Farrell, N. | Structures of the nitroimidazole platinum group metal complexes <i>cis</i>-amminedibromo[1-({[(2-hydroxyethyl)amino]carbonyl}methyl)-2-nitroimidazole]platinum(II) and <i>trans</i>-dichlorobis(1-hydroxyethyl-2-methyl-5-nitroimidazole)palladium(II) | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1703 | 1706 | 10.1107/S0108270193002537 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates,has disorder | Rochon, F. D.; Melanson, R.; Farrell, N.
Structures of the nitroimidazole platinum group metal complexes <i>cis</i>-amminedibromo[1-({[(2-hydroxyethyl)amino]carbonyl}methyl)-2-nitroimidazole]platinum(II) and <i>trans</i>-dichlorobis(1-hydroxyethyl-2-methyl-5-nitroimidazole)palladium(II)
Acta Crystallographica Section C... | 208,226 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-06-09 06:14:12 +0300 (Sat, 09 Jun 2018) $
#$Revision: 208226 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/12/2001271.cif $
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2,001,272 | 7.155 | 0.004 | 20.989 | 0.009 | 7.148 | 0.004 | 90 | null | 115.37 | 0.04 | 90 | null | 969.9 | 0.9 | null | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | null | - C12 H18 Cl2 N6 O6 Pd - | - C12 H18 Cl2 N6 O6 Pd - | - C24 H36 Cl4 N12 O12 Pd2 - | 2 | 0.5 | CD1020 | Rochon, F. D.; Melanson, R.; Farrell, N. | Structures of the nitroimidazole platinum group metal complexes <i>cis</i>-amminedibromo[1-({[(2-hydroxyethyl)amino]carbonyl}methyl)-2-nitroimidazole]platinum(II) and <i>trans</i>-dichlorobis(1-hydroxyethyl-2-methyl-5-nitroimidazole)palladium(II) | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1703 | 1706 | 10.1107/S0108270193002537 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Rochon, F. D.; Melanson, R.; Farrell, N.
Structures of the nitroimidazole platinum group metal complexes <i>cis</i>-amminedibromo[1-({[(2-hydroxyethyl)amino]carbonyl}methyl)-2-nitroimidazole]platinum(II) and <i>trans</i>-dichlorobis(1-hydroxyethyl-2-methyl-5-nitroimidazole)palladium(II)
Acta Crystallographica Section C... | 190,709 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-19 13:10:46 +0200 (Thu, 19 Jan 2017) $
#$Revision: 190709 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/12/2001272.cif $
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7,205,669 | 5.9302 | 0.0004 | 8.368 | 0.0006 | 26.0876 | 0.0017 | 89.168 | 0.004 | 87.153 | 0.004 | 87.763 | 0.004 | 1,291.88 | 0.15 | 100 | 2 | 100 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C10 H13 B F4 N2 O3 - | - C10 H13 B F4 N2 O3 - | - C40 H52 B4 F16 N8 O12 - | 4 | 2 | Lee, Chia-Hao; Su, Fang-Yi; Lin, Yi-Hsiu; Chou, Chih-Ho; Lee, Kwang-Ming | Anion-controlled assemblies of C–H⋯O hydrogen bonded grid, stair or bilayer structures by L-shaped pyridinium salts | CrystEngComm | 2,011 | 13 | 7 | 2318 | 10.1039/c0ce00610f | 0.71073 | MoKα | 0.0769 | 0.0601 | null | null | 0.173 | 0.191 | null | null | null | null | null | 1.057 | null | null | has coordinates,has disorder | Lee, Chia-Hao; Su, Fang-Yi; Lin, Yi-Hsiu; Chou, Chih-Ho; Lee, Kwang-Ming
Anion-controlled assemblies of C–H⋯O hydrogen bonded grid, stair or bilayer structures by L-shaped pyridinium salts
CrystEngComm
13(7)
(2011)
2318 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301863 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205669.cif $
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2,001,273 | 8.775 | 0.002 | 18.848 | 0.009 | 25.185 | 0.008 | 90 | null | 90 | null | 90 | null | 4,165 | 3 | 295 | 1 | null | null | null | null | null | null | 6 | P b c a | -P 2ac 2ab | null | - C20 H18 N4 Ni O2 S2 - | - C20 H18 N4 Ni O2 S2 - | - C160 H144 N32 Ni8 O16 S16 - | 8 | 1 | HH1041 | Macchia, D. J.; Furey, Jnr, W. F.; Lalancette, R. A. | A comparison of the inner coordination spheres of a series of nickel(II) macrocyclic imine ethers | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1706 | 1713 | 10.1107/S0108270193004597 | 0.71069 | MoKα | null | 0.065 | null | null | 0.083 | null | null | null | null | 1.25 | 1.25 | null | null | null | has coordinates | Macchia, D. J.; Furey, Jnr, W. F.; Lalancette, R. A.
A comparison of the inner coordination spheres of a series of nickel(II) macrocyclic imine ethers
Acta Crystallographica Section C
49(10)
(1993)
1706-1713 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,274 | 10.593 | 0.003 | 18.366 | 0.004 | 10.42 | 0.003 | 90 | null | 90 | null | 90 | null | 2,027.2 | 0.9 | 295 | 1 | null | null | null | null | null | null | 6 | P 21 21 21 | P 2ac 2ab | null | - C20 H22 Br2 N2 Ni O2 - | - C20 H16 Br2 N2 Ni O2 - | - C80 H64 Br8 N8 Ni4 O8 - | 4 | 1 | HH1041 | Macchia, D. J.; Furey, Jnr, W. F.; Lalancette, R. A. | A comparison of the inner coordination spheres of a series of nickel(II) macrocyclic imine ethers | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1706 | 1713 | 10.1107/S0108270193004597 | 0.71069 | MoKα | null | 0.054 | null | null | 0.067 | null | null | null | null | 1.46 | 1.46 | null | null | null | has coordinates | Macchia, D. J.; Furey, Jnr, W. F.; Lalancette, R. A.
A comparison of the inner coordination spheres of a series of nickel(II) macrocyclic imine ethers
Acta Crystallographica Section C
49(10)
(1993)
1706-1713 | 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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2,001,275 | 8.358 | 0.002 | 13.259 | 0.003 | 12.87 | 0.004 | 106.74 | 0.02 | 73.51 | 0.02 | 110.54 | 0.01 | 1,252.1 | 0.6 | 295 | 1 | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C24 H31 I N2 Ni O2 - | - C24 H19 I N2 Ni O2 - | - C48 H38 I2 N4 Ni2 O4 - | 2 | 1 | HH1041 | Macchia, D. J.; Furey, Jnr, W. F.; Lalancette, R. A. | A comparison of the inner coordination spheres of a series of nickel(II) macrocyclic imine ethers | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1706 | 1713 | 10.1107/S0108270193004597 | 0.71069 | MoKα | null | 0.054 | null | null | 0.073 | null | null | null | null | 1.35 | 1.35 | null | null | null | has coordinates | Macchia, D. J.; Furey, Jnr, W. F.; Lalancette, R. A.
A comparison of the inner coordination spheres of a series of nickel(II) macrocyclic imine ethers
Acta Crystallographica Section C
49(10)
(1993)
1706-1713 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
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2,001,276 | 20.704 | 0.016 | 10.287 | 0.006 | 16.982 | 0.008 | 90 | null | 90 | null | 90 | null | 3,617 | 4 | null | null | null | null | null | null | null | null | 5 | P n a 21 | P 2c -2n | null | - C41 H39 Cl Cu P3 - | - C41 H39 Cl Cu P3 - | - C164 H156 Cl4 Cu4 P12 - | 4 | 1 | HH1044 | Fife, D. J.; Mueh, H. J.; Campana, C. F. | Structure of chloro[1,1,1-tris(diphenylphosphinomethyl)ethane]copper(I) | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1714 | 1716 | 10.1107/S0108270193006584 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Fife, D. J.; Mueh, H. J.; Campana, C. F.
Structure of chloro[1,1,1-tris(diphenylphosphinomethyl)ethane]copper(I)
Acta Crystallographica Section C
49(10)
(1993)
1714-1716 | 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/2/00/12/2001276.cif $
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7,205,668 | 6.2214 | 0.0005 | 8.6255 | 0.0006 | 26.3909 | 0.0018 | 90 | null | 93.039 | 0.004 | 90 | null | 1,414.21 | 0.18 | 100 | 2 | 100 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C10 H13 F6 N2 O3 P - | - C10 H13 F6 N2 O3 P - | - C40 H52 F24 N8 O12 P4 - | 4 | 1 | Lee, Chia-Hao; Su, Fang-Yi; Lin, Yi-Hsiu; Chou, Chih-Ho; Lee, Kwang-Ming | Anion-controlled assemblies of C–H⋯O hydrogen bonded grid, stair or bilayer structures by L-shaped pyridinium salts | CrystEngComm | 2,011 | 13 | 7 | 2318 | 10.1039/c0ce00610f | 0.71073 | MoKα | 0.0347 | 0.0297 | null | null | 0.0871 | 0.1008 | null | null | null | null | null | 1.14 | null | null | has coordinates | Lee, Chia-Hao; Su, Fang-Yi; Lin, Yi-Hsiu; Chou, Chih-Ho; Lee, Kwang-Ming
Anion-controlled assemblies of C–H⋯O hydrogen bonded grid, stair or bilayer structures by L-shaped pyridinium salts
CrystEngComm
13(7)
(2011)
2318 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
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2,001,277 | 16.948 | 0.004 | 17.163 | 0.004 | 17.677 | 0.006 | 90 | null | 109.59 | 0.02 | 90 | null | 4,844 | 2 | null | null | null | null | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | null | - C15 H12 N2 - | - C15 H12 N2 - | - C240 H192 N32 - | 16 | 2 | CR1006 | Raptis, R. G.; Staples, R. J.; King, C.; Fackler, Jnr, J. P. | Structure of [3,5-(C~6~H~5~)~2~C~3~H~2~N~2~]~4~. A 3,5-diphenylpyrazole tetramer linked by hydrogen bonds | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1716 | 1719 | 10.1107/S0108270193005980 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Raptis, R. G.; Staples, R. J.; King, C.; Fackler, Jnr, J. P.
Structure of [3,5-(C~6~H~5~)~2~C~3~H~2~N~2~]~4~. A 3,5-diphenylpyrazole tetramer linked by hydrogen bonds
Acta Crystallographica Section C
49(10)
(1993)
1716-1719 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,001,278 | 11.137 | 0.001 | 17.361 | 0.002 | 5.5641 | 0.0004 | 90 | null | 90 | null | 90 | null | 1,075.82 | 0.18 | null | null | null | null | null | null | null | null | 5 | P n a 21 | P 2c -2n | null | - C10 H8 Br N O3 - | - C10 H8 Br N O3 - | - C40 H32 Br4 N4 O12 - | 4 | 1 | AS1011 | Ha, H.-J.; Park, K. P.; Jeong, J. H. | Structure of (<i>E</i>)-3-bromo-4-nitro-4-phenyl-3-buten-2-one | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1720 | 1721 | 10.1107/S0108270193003956 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Ha, H.-J.; Park, K. P.; Jeong, J. H.
Structure of (<i>E</i>)-3-bromo-4-nitro-4-phenyl-3-buten-2-one
Acta Crystallographica Section C
49(10)
(1993)
1720-1721 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,001,279 | 8.4561 | 0.0006 | 8.4561 | 0.0006 | 20.82 | 0.003 | 90 | null | 90 | null | 90 | null | 1,488.7 | 0.3 | null | null | null | null | null | null | null | null | 4 | P 41 | P 41 | null | - C15 H23 N2 O2 - | - C15 H23 N2 O2 - | - C60 H92 N8 O8 - | 4 | 1 | HA1044 | Olszak, T. A.; Grabowski, M. J.; Gwoździński, K. | Piperidine nitroxide radicals with heterocyclic ring substituents. I. Structure of 4-hydroxy-2,2,6,6-tetramethyl-4-(2-pyridylmethyl)piperidine 1-oxide | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1722 | 1723 | 10.1107/S0108270193005463 | 1.54178 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Olszak, T. A.; Grabowski, M. J.; Gwoździński, K.
Piperidine nitroxide radicals with heterocyclic ring substituents. I. Structure of 4-hydroxy-2,2,6,6-tetramethyl-4-(2-pyridylmethyl)piperidine 1-oxide
Acta Crystallographica Section C
49(10)
(1993)
1722-1723 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,001,280 | 7.927 | 0.002 | 6.086 | 0.002 | 10.934 | 0.003 | 90 | null | 90 | null | 90 | null | 527.5 | 0.3 | 291 | null | null | null | null | null | null | null | 3 | P n m a | -P 2ac 2n | 62 | - O4 Se Tl2 - | - O4 Se Tl2 - | - O16 Se4 Tl8 - | 4 | 0.5 | MU1031 | Fábry, J.; Breczewski, T. | Thallium(I) selenate | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1724 | 1727 | 10.1107/S0108270193003373 | 0.71073 | MoKα | null | 0.0472 | null | null | 0.0392 | null | null | null | null | 0.896 | 0.896 | null | null | null | has coordinates | Fábry, J.; Breczewski, T.
Thallium(I) selenate
Acta Crystallographica Section C
49(10)
(1993)
1724-1727 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,281 | 11.343 | 0.003 | 13.078 | 0.003 | 6.272 | 0.001 | 89.79 | 0.02 | 94.36 | 0.02 | 104.2 | 0.02 | 899.3 | 0.4 | 293 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C12 H15 K2 Li O15 - | - C12 H15 K2 Li O15 - | - C24 H30 K4 Li2 O30 - | 2 | 1 | CR1032 | Zacharias, D. E.; Glusker, J. P. | Structure of a citrate double salt: potassium dihydrogen citrate‒lithium potassium hydrogen citrate monohydrate | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1727 | 1730 | 10.1107/S0108270193002112 | 0.71069 | MoKα | null | 0.039 | null | null | 0.49 | null | null | null | null | 0.68 | 0.68 | null | null | null | has coordinates | Zacharias, D. E.; Glusker, J. P.
Structure of a citrate double salt: potassium dihydrogen citrate‒lithium potassium hydrogen citrate monohydrate
Acta Crystallographica Section C
49(10)
(1993)
1727-1730 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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7,205,667 | 9.41 | 0.001 | 13.033 | 0.001 | 15.183 | 0.002 | 90 | null | 103.112 | 0.009 | 90 | null | 1,813.5 | 0.3 | 298 | null | 298 | null | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | - C41 H43 N3 O8 S - | - C41 H43 N3 O8 S - | - C82 H86 N6 O16 S2 - | 2 | 1 | Altamura, Maria; Guidi, Antonio; Jierry, Loïc; Paoli, Paola; Rossi, Patrizia | Uncommon crystal motif of brucine in its diastereomeric salt with (11-oxo-11H-dibenzo[b,f][1,4]thiazepin-10-yl)-acetic acid: a case of possible crystallization-induced dynamic resolution | CrystEngComm | 2,011 | 13 | 7 | 2310 | 10.1039/c0ce00595a | 0.71073 | MoKα | 0.0671 | 0.041 | null | null | 0.0763 | 0.0834 | null | null | null | null | null | 0.84 | null | null | has coordinates | Altamura, Maria; Guidi, Antonio; Jierry, Loïc; Paoli, Paola; Rossi, Patrizia
Uncommon crystal motif of brucine in its diastereomeric salt with (11-oxo-11H-dibenzo[b,f][1,4]thiazepin-10-yl)-acetic acid: a case of possible crystallization-induced dynamic resolution
CrystEngComm
13(7)
(2011)
2310 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
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2,001,282 | 10.757 | 0.002 | 9.65 | 0.002 | 18.918 | 0.003 | 90 | null | 90.09 | 0.01 | 90 | null | 1,963.8 | 0.6 | 293 | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - C6 H6 K2 O7 - | - C6 H6 K2 O7 - | - C48 H48 K16 O56 - | 8 | 1 | CR1033 | Zacharias, D. E.; Glusker, J. P. | Structure of dipotassium hydrogen citrate | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1730 | 1732 | 10.1107/S0108270193001477 | 0.71069 | MoKα | null | 0.04 | null | null | 0.051 | null | null | null | null | 2.18 | 2.18 | null | null | null | has coordinates | Zacharias, D. E.; Glusker, J. P.
Structure of dipotassium hydrogen citrate
Acta Crystallographica Section C
49(10)
(1993)
1730-1732 | 198,853 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-07-20 16:51:01 +0300 (Thu, 20 Jul 2017) $
#$Revision: 198853 $
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2,001,283 | 10.72 | 0.002 | 12.467 | 0.002 | 9.124 | 0.002 | 104.77 | 0.02 | 100.12 | 0.02 | 111.19 | 0.02 | 1,049.7 | 0.4 | 293 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C12 H20 O19 Sr3 - | - C12 H20 O19 Sr3 - | - C24 H40 O38 Sr6 - | 2 | 1 | CR1034 | Zacharias, D. E.; Glusker, J. P. | Structure of strontium citrate pentahydrate | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1732 | 1735 | 10.1107/S0108270193000964 | 1.5418 | CuKα | null | 0.031 | null | null | 0.042 | null | null | null | null | 1.25 | 1.25 | null | null | null | has coordinates | Zacharias, D. E.; Glusker, J. P.
Structure of strontium citrate pentahydrate
Acta Crystallographica Section C
49(10)
(1993)
1732-1735 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
#$Revision: 278247 $
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2,001,284 | 9.99 | 0.002 | 17.875 | 0.004 | 12.743 | 0.002 | 90 | null | 111.76 | 0.01 | 90 | null | 2,113.4 | 0.7 | 291 | 1 | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | null | - C22 H18 N2 S2 Sn - | - C22 H18 N2 S2 Sn - | - C88 H72 N8 S8 Sn4 - | 4 | 1 | AB1057 | Schmiedgen, R.; Huber, F.; Preut, H. | Diphenylbis(2-pyridinethiolato)tin(IV) | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1735 | 1737 | 10.1107/S0108270193002781 | 0.71073 | MoKα | null | 0.031 | null | null | 0.042 | null | null | null | null | 0.83 | 0.83 | null | null | null | has coordinates | Schmiedgen, R.; Huber, F.; Preut, H.
Diphenylbis(2-pyridinethiolato)tin(IV)
Acta Crystallographica Section C
49(10)
(1993)
1735-1737 | 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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2,001,285 | 13.01 | 0.003 | 7.687 | 0.001 | 13.412 | 0.002 | 90 | null | 103.63 | 0.02 | 90 | null | 1,303.5 | 0.4 | 293 | null | null | null | null | null | null | null | 6 | P 1 2/n 1 | -P 2yac | 13 | - C26 H30 Cl N6 O3 V - | - C26 H28 Cl N6 O4 V - | - C52 H56 Cl2 N12 O8 V2 - | 2 | 0.5 | SH1042 | Neves, A.; Hörner, M.; Fenner, H.; Strähle, J. | Structure of dioxo[<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis(2-pyridylmethyl)ethylenediamine]vanadium(V) chloride monohydrate, [VO~2~(tpen)]Cl.H~2~O | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1737 | 1739 | 10.1107/S0108270193003105 | 0.71069 | MoKα | null | 0.048 | null | null | 0.052 | null | null | null | null | 0.844 | 0.844 | null | null | null | has coordinates | Neves, A.; Hörner, M.; Fenner, H.; Strähle, J.
Structure of dioxo[<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis(2-pyridylmethyl)ethylenediamine]vanadium(V) chloride monohydrate, [VO~2~(tpen)]Cl.H~2~O
Acta Crystallographica Section C
49(10)
(1993)
1737-1739 | 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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2,001,286 | 10.197 | 0.002 | 12.007 | 0.003 | 11.075 | 0.002 | 90 | null | 110.16 | 0.02 | 90 | null | 1,272.9 | 0.5 | 20 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C4 H12 As Cl5 Cu2 - | - C4 H12 As Cl5 Cu2 - | - C16 H48 As4 Cl20 Cu8 - | 4 | 1 | AB1031 | Murray, K.; Willett, R. D. | Tetramethylarsonium pentachlorodicuprate(II) | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1739 | 1741 | 10.1107/S0108270193003853 | 0.71069 | MoKα | null | 0.0417 | null | null | 0.0594 | null | null | null | null | 1.581 | 1.581 | null | null | null | has coordinates | Murray, K.; Willett, R. D.
Tetramethylarsonium pentachlorodicuprate(II)
Acta Crystallographica Section C
49(10)
(1993)
1739-1741 | 176,342 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-11 00:55:37 +0200 (Thu, 11 Feb 2016) $
#$Revision: 176342 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/12/2001286.cif $
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7,205,666 | 4.9819 | 0.0005 | 5.3114 | 0.0007 | 14.748 | 0.002 | 89.543 | 0.012 | 86.238 | 0.01 | 84.973 | 0.01 | 387.91 | 0.08 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C6 H8 N O6 - | - C6 H8 N O6 - | - C12 H16 N2 O12 - | 2 | 1 | Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I. | Supramolecular metathesis: co-former exchange in co-crystals of pyrazine with (R,R)-, (S,S)-, (R,S)- and (S,S/R,R)-tartaric acid | CrystEngComm | 2,011 | 13 | 9 | 3122 | 10.1039/c0ce00576b | 0.71073 | MoKα | 0.0715 | 0.0419 | null | null | null | 0.1169 | null | null | null | null | null | 0.788 | null | null | has coordinates | Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.
Supramolecular metathesis: co-former exchange in co-crystals of pyrazine with (R,R)-, (S,S)-, (R,S)- and (S,S/R,R)-tartaric acid
CrystEngComm
13(9)
(2011)
3122 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301863 $
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2,001,287 | 11.763 | 0.004 | 13.598 | 0.005 | 14.635 | 0.004 | 87.66 | 0.03 | 66.45 | 0.02 | 86.44 | 0.03 | 2,141.5 | 1.3 | 298 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C43 H30 Fe3 O7 P2 Te2 - | - C43 H30 Fe3 O7 P2 Te2 - | - C86 H60 Fe6 O14 P4 Te4 - | 2 | 1 | HH1039 | Rheingold, A. L.; Ostrander, R. L.; Mathur, P. | Heptacarbonylbis(triphenylphosphine)bis(μ~3~-tellurium)-triiron | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1741 | 1743 | 10.1107/S0108270193003075 | 0.71073 | MoKα | null | 0.0271 | null | null | 0.0323 | null | null | null | null | 0.997 | 0.997 | null | null | null | has coordinates | Rheingold, A. L.; Ostrander, R. L.; Mathur, P.
Heptacarbonylbis(triphenylphosphine)bis(μ~3~-tellurium)-triiron
Acta Crystallographica Section C
49(10)
(1993)
1741-1743 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
#$Revision: 278247 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/12/2001287.cif $
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2,001,288 | 18.178 | 0.007 | 22.16 | 0.011 | 24.421 | 0.008 | 90 | null | 93.64 | 0.04 | 90 | null | 9,818 | 7 | 295 | null | null | null | null | null | null | null | 7 | C 1 2/c 1 | -C 2yc | null | - C44.5 H Br8 Cl F20 N4 Ni - | - C44.5 H Br8 Cl F20 N4 Ni - | - C356 H8 Br64 Cl8 F160 N32 Ni8 - | 8 | 1 | HH1023 | Henling, L. M.; Schaefer, W. P.; Hodge, J. A.; Hughes, M. E.; Gray, H. B.; Lyons, J. E.; Ellis, Jnr, P. E. | Copper(II) and nickel(II) octabromo-tetrakis(pentafluorophenyl)porphyrin complexes | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1743 | 1747 | 10.1107/S0108270193003051 | 0.71073 | MoKα | null | 0.042 | null | null | null | null | null | null | null | 1.22 | 1.22 | null | null | null | has coordinates | Henling, L. M.; Schaefer, W. P.; Hodge, J. A.; Hughes, M. E.; Gray, H. B.; Lyons, J. E.; Ellis, Jnr, P. E.
Copper(II) and nickel(II) octabromo-tetrakis(pentafluorophenyl)porphyrin complexes
Acta Crystallographica Section C
49(10)
(1993)
1743-1747 | 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/2/00/12/2001288.cif $
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2,001,289 | 18.099 | 0.004 | 22.326 | 0.004 | 24.303 | 0.005 | 90 | null | 92.31 | null | 90 | null | 9,812 | 3 | 294 | null | null | null | null | null | null | null | 7 | C 1 2/c 1 | -C 2yc | null | - C44.5 H Br8 Cl Cu F20 N4 - | - C44.5 H Br8 Cl Cu F20 N4 - | - C356 H8 Br64 Cl8 Cu8 F160 N32 - | 8 | 1 | HH1023 | Henling, L. M.; Schaefer, W. P.; Hodge, J. A.; Hughes, M. E.; Gray, H. B.; Lyons, J. E.; Ellis, Jnr, P. E. | Copper(II) and nickel(II) octabromo-tetrakis(pentafluorophenyl)porphyrin complexes | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1743 | 1747 | 10.1107/S0108270193003051 | 0.71073 | MoKα | null | 0.047 | null | null | null | null | null | null | null | 1.18 | 1.18 | null | null | null | has coordinates | Henling, L. M.; Schaefer, W. P.; Hodge, J. A.; Hughes, M. E.; Gray, H. B.; Lyons, J. E.; Ellis, Jnr, P. E.
Copper(II) and nickel(II) octabromo-tetrakis(pentafluorophenyl)porphyrin complexes
Acta Crystallographica Section C
49(10)
(1993)
1743-1747 | 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/2/00/12/2001289.cif $
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2,001,290 | 14.506 | 0.002 | 14.823 | 0.002 | 19.243 | 0.002 | 90 | null | 90 | null | 90 | null | 4,137.7 | 0.9 | 298 | 3 | null | null | null | null | null | null | 6 | P c a b | -P 2bc 2ac | 61 | - C10 H29 Cl2 Cu N5 O9 - | - C10 H29 Cl2 Cu N5 O9 - | - C80 H232 Cl16 Cu8 N40 O72 - | 8 | 1 | AS1026 | Lu, T.-H.; Tahirov, T. H.; Bin, C.-K.; Hsiao, C.-D.; Liu, Y.-L.; Lee, J.-C.; Chung, C.-S. | Structure of (2,5,8,11,14-pentaazapentadecane)copper(II) diperchlorate monohydrate | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1747 | 1749 | 10.1107/S010827019300280X | 1.54178 | CuKα | null | 0.048 | null | null | 0.049 | null | null | null | null | 10.44 | 10.44 | null | null | null | has coordinates,has disorder | Lu, T.-H.; Tahirov, T. H.; Bin, C.-K.; Hsiao, C.-D.; Liu, Y.-L.; Lee, J.-C.; Chung, C.-S.
Structure of (2,5,8,11,14-pentaazapentadecane)copper(II) diperchlorate monohydrate
Acta Crystallographica Section C
49(10)
(1993)
1747-1749 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$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/2/00/12/2001290.cif $
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7,205,665 | 11.4966 | 0.0004 | 5.1521 | 0.0002 | 17.0937 | 0.0006 | 90 | null | 96.315 | 0.003 | 90 | null | 1,006.34 | 0.06 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C8 H10 N2 O6 - | - C8 H10 N2 O6 - | - C32 H40 N8 O24 - | 4 | 1 | Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I. | Supramolecular metathesis: co-former exchange in co-crystals of pyrazine with (R,R)-, (S,S)-, (R,S)- and (S,S/R,R)-tartaric acid | CrystEngComm | 2,011 | 13 | 9 | 3122 | 10.1039/c0ce00576b | 0.71073 | MoKα | 0.084 | 0.0491 | null | null | null | 0.105 | null | null | null | null | null | 0.973 | null | null | has coordinates | Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.
Supramolecular metathesis: co-former exchange in co-crystals of pyrazine with (R,R)-, (S,S)-, (R,S)- and (S,S/R,R)-tartaric acid
CrystEngComm
13(9)
(2011)
3122 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301863 $
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2,001,291 | 10.327 | 0.004 | 11.306 | 0.003 | 18.427 | 0.006 | 90 | null | 90 | null | 90 | null | 2,151.5 | 1.2 | 294 | null | null | null | null | null | null | null | 6 | P 21 21 21 | P 2ac 2ab | null | - C19 H25 Cr N O5 Si - | - C22 H16 Cr N O5 Si - | - C88 H64 Cr4 N4 O20 Si4 - | 4 | 1 | ST1037 | Heaton, S. B.; Jones, G. B.; Pennington, W. T. | Preparation of chiral tricarbonyl(η^6^-arene)chromium(0) complexes derived from (<i>S</i>)-2-indolinecarboxylic acid | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1749 | 1753 | 10.1107/S0108270193003026 | 0.71073 | MoKα | null | 0.0383 | null | null | 0.0485 | null | null | null | null | 1.51 | 1.51 | null | null | null | has coordinates | Heaton, S. B.; Jones, G. B.; Pennington, W. T.
Preparation of chiral tricarbonyl(η^6^-arene)chromium(0) complexes derived from (<i>S</i>)-2-indolinecarboxylic acid
Acta Crystallographica Section C
49(10)
(1993)
1749-1753 | 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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2,001,292 | 10.183 | 0.003 | 11.618 | 0.004 | 18.29 | 0.005 | 90 | null | 90 | null | 90 | null | 2,163.8 | 1.1 | 294 | null | null | null | null | null | null | null | 6 | P 21 21 21 | P 2ac 2ab | null | - C19 H25 Cr N O5 Si - | - C19 H25 Cr N O5 Si - | - C76 H100 Cr4 N4 O20 Si4 - | 4 | 1 | ST1037 | Heaton, S. B.; Jones, G. B.; Pennington, W. T. | Preparation of chiral tricarbonyl(η^6^-arene)chromium(0) complexes derived from (<i>S</i>)-2-indolinecarboxylic acid | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1749 | 1753 | 10.1107/S0108270193003026 | 0.71073 | MoKα | null | 0.0289 | null | null | 0.0369 | null | null | null | null | 1.09 | 1.09 | null | null | null | has coordinates | Heaton, S. B.; Jones, G. B.; Pennington, W. T.
Preparation of chiral tricarbonyl(η^6^-arene)chromium(0) complexes derived from (<i>S</i>)-2-indolinecarboxylic acid
Acta Crystallographica Section C
49(10)
(1993)
1749-1753 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,001,293 | 10.612 | 0.004 | 13.902 | 0.007 | 17.898 | 0.006 | 90 | null | 104.62 | 0.03 | 90 | null | 2,555 | 1.9 | 294 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | null | - C29 H25 P S Te - | - C29 H22 P S Te - | - C116 H88 P4 S4 Te4 - | 4 | 1 | ST1024 | Zhao, J.; Kolis, J. W.; Pennington, W. T. | Tetraphenylphosphonium salts of 2-telluro-5-methylthiophene and its mercury(II) metal complex | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1753 | 1756 | 10.1107/S010827019300232X | 0.71073 | MoKα | null | 0.0486 | null | null | 0.0552 | null | null | null | null | 1.53 | 1.53 | null | null | null | has coordinates | Zhao, J.; Kolis, J. W.; Pennington, W. T.
Tetraphenylphosphonium salts of 2-telluro-5-methylthiophene and its mercury(II) metal complex
Acta Crystallographica Section C
49(10)
(1993)
1753-1756 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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7,205,664 | 4.9168 | 0.0005 | 5.4373 | 0.0005 | 14.7869 | 0.0014 | 81.199 | 0.008 | 83.738 | 0.008 | 88.135 | 0.008 | 388.28 | 0.07 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C6 H8 N O6 - | - C6 H8 N O6 - | - C12 H16 N2 O12 - | 2 | 1 | Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I. | Supramolecular metathesis: co-former exchange in co-crystals of pyrazine with (R,R)-, (S,S)-, (R,S)- and (S,S/R,R)-tartaric acid | CrystEngComm | 2,011 | 13 | 9 | 3122 | 10.1039/c0ce00576b | 0.71073 | MoKα | 0.0918 | 0.0568 | null | null | null | 0.1808 | null | null | null | null | null | 0.826 | null | null | has coordinates | Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.
Supramolecular metathesis: co-former exchange in co-crystals of pyrazine with (R,R)-, (S,S)-, (R,S)- and (S,S/R,R)-tartaric acid
CrystEngComm
13(9)
(2011)
3122 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
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2,001,294 | 9.632 | 0.003 | 17.067 | 0.004 | 25.04 | 0.005 | 90 | null | 90 | null | 90 | null | 4,116.3 | 1.8 | 294 | null | null | null | null | null | null | null | 6 | P 21 21 21 | P 2ac 2ab | null | - C39 H35 Hg P S3 Te3 - | - C39 Hg P S3 Te3 - | - C156 Hg4 P4 S12 Te12 - | 4 | 1 | ST1024 | Zhao, J.; Kolis, J. W.; Pennington, W. T. | Tetraphenylphosphonium salts of 2-telluro-5-methylthiophene and its mercury(II) metal complex | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1753 | 1756 | 10.1107/S010827019300232X | 0.71073 | MoKα | null | 0.053 | null | null | 0.0566 | null | null | null | null | 1.27 | 1.27 | null | null | null | has coordinates | Zhao, J.; Kolis, J. W.; Pennington, W. T.
Tetraphenylphosphonium salts of 2-telluro-5-methylthiophene and its mercury(II) metal complex
Acta Crystallographica Section C
49(10)
(1993)
1753-1756 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,001,295 | 7.607 | 0.002 | 17.091 | 0.004 | 8.416 | 0.002 | 90 | null | 94.18 | 0.03 | 90 | null | 1,091.3 | 0.5 | 293 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C20 H18 Cu N8 O6 - | - C10 H9 Cu0.5 N4 O3 - | - C20 H18 Cu N8 O6 - | 2 | 1 | AL1036 | Muñoz, M. C.; Lázaro, J. M.; Faus, J.; Julve, M. | Structures of bis(di-2-pyridylamine)dinitratocopper(II) and bis(acetato)bis(di-2-pyridylamine)copper(II) monohydrate | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1756 | 1761 | 10.1107/S0108270193002859 | 0.71069 | MoKα | null | 0.0426 | null | null | 0.0426 | null | null | null | null | null | null | null | null | null | has coordinates | Muñoz, M. C.; Lázaro, J. M.; Faus, J.; Julve, M.
Structures of bis(di-2-pyridylamine)dinitratocopper(II) and bis(acetato)bis(di-2-pyridylamine)copper(II) monohydrate
Acta Crystallographica Section C
49(10)
(1993)
1756-1761 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
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2,001,296 | 7.309 | 0.001 | 10.917 | 0.001 | 11.183 | 0.002 | 83.45 | 0.01 | 76.7 | 0.01 | 73.36 | 0.01 | 830.9 | 0.2 | 293 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C14 H17 Cu N3 O5 - | - C14 H17 Cu N3 O5 - | - C28 H34 Cu2 N6 O10 - | 2 | 1 | AL1036 | Muñoz, M. C.; Lázaro, J. M.; Faus, J.; Julve, M. | Structures of bis(di-2-pyridylamine)dinitratocopper(II) and bis(acetato)bis(di-2-pyridylamine)copper(II) monohydrate | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1756 | 1761 | 10.1107/S0108270193002859 | 0.71069 | MoKα | null | 0.071 | null | null | 0.071 | null | null | null | null | null | null | null | null | null | has coordinates | Muñoz, M. C.; Lázaro, J. M.; Faus, J.; Julve, M.
Structures of bis(di-2-pyridylamine)dinitratocopper(II) and bis(acetato)bis(di-2-pyridylamine)copper(II) monohydrate
Acta Crystallographica Section C
49(10)
(1993)
1756-1761 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,297 | 6.895 | 0.001 | 9.181 | 0.001 | 6.3377 | 0.0008 | 105.24 | 0.01 | 108.2 | 0.01 | 99.45 | 0.01 | 354.2 | 0.09 | 296 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C12 H16 Cu N2 O8 - | - C12 H16 Cu N2 O8 - | - C12 H16 Cu N2 O8 - | 1 | 0.5 | OH1018 | Okabe, N.; Nakamura, T.; Fukuda, H. | Structure of the copper(II) complex isonicotinic acid | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1761 | 1762 | 10.1107/S010827019300318X | 0.71069 | MoKα | null | 0.033 | null | null | 0.041 | null | null | null | null | 1.68 | 1.68 | null | null | null | has coordinates | Okabe, N.; Nakamura, T.; Fukuda, H.
Structure of the copper(II) complex isonicotinic acid
Acta Crystallographica Section C
49(10)
(1993)
1761-1762 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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7,205,663 | 4.9179 | 0.0005 | 5.4897 | 0.0007 | 9.5322 | 0.0011 | 92.426 | 0.009 | 102.087 | 0.009 | 94.81 | 0.009 | 250.28 | 0.05 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 | P 1 | 1 | - C8 H10 N2 O6 - | - C8 H10 N2 O6 - | - C8 H10 N2 O6 - | 1 | 1 | Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I. | Supramolecular metathesis: co-former exchange in co-crystals of pyrazine with (R,R)-, (S,S)-, (R,S)- and (S,S/R,R)-tartaric acid | CrystEngComm | 2,011 | 13 | 9 | 3122 | 10.1039/c0ce00576b | 0.71073 | MoKα | 0.0629 | 0.0375 | null | null | null | 0.0737 | null | null | null | null | null | 0.804 | null | null | has coordinates | Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.
Supramolecular metathesis: co-former exchange in co-crystals of pyrazine with (R,R)-, (S,S)-, (R,S)- and (S,S/R,R)-tartaric acid
CrystEngComm
13(9)
(2011)
3122 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
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2,001,298 | 13.08 | 0.003 | 11.667 | 0.007 | 7.8001 | 0.0001 | 90 | null | 90 | null | 90 | null | 1,190.3 | 0.8 | 296 | null | null | null | null | null | null | null | 5 | P n m a | -P 2ac 2n | 62 | - C12 H15 Cl O2 Ru - | - C12 H15 Cl O2 Ru - | - C48 H60 Cl4 O8 Ru4 - | 4 | 0.5 | HA1028 | Toerien, J. G.; Dillen, J. L. M. | Structure of [Ru(η^6^-C~7~H~8~)(acetylacetonato)Cl] | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1762 | 1764 | 10.1107/S0108270193003002 | 0.7107 | MoKα | null | 0.038 | null | null | 0.025 | null | null | null | null | null | null | null | null | null | has coordinates | Toerien, J. G.; Dillen, J. L. M.
Structure of [Ru(η^6^-C~7~H~8~)(acetylacetonato)Cl]
Acta Crystallographica Section C
49(10)
(1993)
1762-1764 | 278,244 | 2022-09-28 | 13:56:22 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 16:56:03 +0300 (Wed, 28 Sep 2022) $
#$Revision: 278244 $
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2,001,299 | 13.824 | 0.007 | 6.178 | 0.008 | 17.844 | 0.006 | 90 | null | 112.26 | 0.03 | 90 | null | 1,410 | 2 | 294 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | null | - C15 H11 Co N2 S2 - | - C15 H11 Co N2 S2 - | - C60 H44 Co4 N8 S8 - | 4 | 1 | MU1042 | Armstrong, E. M.; Austerberry, M. S.; Beddoes, R. L.; Helliwell, M.; Joule, J. A.; Garner, C. D. | Structure of (η^5^-cyclopentadienyl)[1-(2-quinoxalinyl)ethene-1,2-dithiolato]cobalt(III), [(η^5^-C~5~H~5~)Co{S~2~C~2~H(2-quinoxalinyl)}] | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1764 | 1766 | 10.1107/S0108270193003452 | 0.71069 | MoKα | null | 0.043 | null | null | 0.043 | null | null | null | null | 1.33 | 1.33 | null | null | null | has coordinates | Armstrong, E. M.; Austerberry, M. S.; Beddoes, R. L.; Helliwell, M.; Joule, J. A.; Garner, C. D.
Structure of (η^5^-cyclopentadienyl)[1-(2-quinoxalinyl)ethene-1,2-dithiolato]cobalt(III), [(η^5^-C~5~H~5~)Co{S~2~C~2~H(2-quinoxalinyl)}]
Acta Crystallographica Section C
49(10)
(1993)
1764-1766 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,001,300 | 11.8271 | 0.0004 | 11.9869 | 0.0004 | 13.0821 | 0.0005 | 90 | null | 90 | null | 90 | null | 1,854.65 | 0.11 | 295 | null | null | null | null | null | null | null | 4 | P b c a | -P 2ac 2ab | null | - C8 H12 Cl2 Pd - | - C8 H12 Cl2 Pd - | - C64 H96 Cl16 Pd8 - | 8 | 1 | HH1058 | Kumar, R.; Maverick, A. W.; Fronczek, F. R.; Doyle, J. R.; Baenziger, N. C.; Howells, M. A. M. | The <i>Pbca</i> polymorph of dichloro(η^4^-1,5-cyclooctadiene)palladium(II) | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1766 | 1767 | 10.1107/S0108270193003889 | 0.71073 | MoKα | null | 0.022 | null | null | 0.029 | null | null | null | null | 1.455 | 1.455 | null | null | null | has coordinates | Kumar, R.; Maverick, A. W.; Fronczek, F. R.; Doyle, J. R.; Baenziger, N. C.; Howells, M. A. M.
The <i>Pbca</i> polymorph of dichloro(η^4^-1,5-cyclooctadiene)palladium(II)
Acta Crystallographica Section C
49(10)
(1993)
1766-1767 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,001,301 | 9.387 | 0.005 | 9.507 | 0.005 | 21.279 | 0.008 | 90 | null | 92.63 | 0.04 | 90 | null | 1,897 | 1.6 | 295 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C34 H34 N2 O14 U2 - | - C17 H17 N O7 U - | - C34 H34 N2 O14 U2 - | 2 | 1 | PA1039 | Navaza, A.; Iroulart, M. G.; Nierlich, M.; Lance, M.; Vigner, J. | Bis(μ-benzoato-κ<i>O</i>:κ<i>O</i>')-bis[(benzoato-κ^2^<i>O</i>,<i>O</i>')(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)dioxouranium(VI)] | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1767 | 1770 | 10.1107/S0108270193003518 | 0.71073 | MoKα | null | 0.025 | null | null | 0.028 | null | null | null | null | 2.4 | 2.4 | null | null | null | has coordinates | Navaza, A.; Iroulart, M. G.; Nierlich, M.; Lance, M.; Vigner, J.
Bis(μ-benzoato-κ<i>O</i>:κ<i>O</i>')-bis[(benzoato-κ^2^<i>O</i>,<i>O</i>')(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)dioxouranium(VI)]
Acta Crystallographica Section C
49(10)
(1993)
1767-1770 | 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/2/00/13/2001301.cif $
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7,205,662 | 14.981 | 0.002 | 36.371 | 0.005 | 10.922 | 0.002 | 90 | null | 90 | null | 90 | null | 5,951.1 | 1.6 | 183 | 2 | 183 | 2 | null | null | null | null | 5 | I m m a | -I 2b 2 | 74 | - C44 H28 Cu2 N4 O12 - | - C44 H28 Cu2 N4 O12 - | - C176 H112 Cu8 N16 O48 - | 4 | 0.25 | Perman, Jason A.; Cairns, Amy J.; Wojtas, Łukasz; Eddaoudi, Mohamed; Zaworotko, Michael J. | Cocrystal controlled solid-state synthesis of a rigid tetracarboxylate ligand that pillars both square grid and Kagomé lattice layers | CrystEngComm | 2,011 | 13 | 9 | 3130 | 10.1039/c0ce00542h | 0.71073 | MoKα | 0.0491 | 0.0429 | null | null | 0.1238 | 0.1285 | null | null | null | null | null | 1.039 | null | null | has coordinates,has disorder | Perman, Jason A.; Cairns, Amy J.; Wojtas, Łukasz; Eddaoudi, Mohamed; Zaworotko, Michael J.
Cocrystal controlled solid-state synthesis of a rigid tetracarboxylate ligand that pillars both square grid and Kagomé lattice layers
CrystEngComm
13(9)
(2011)
3130 | 180,387 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:19:08 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180387 $
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2,001,302 | 14.33 | 0.003 | 7.3123 | 0.0006 | 7.236 | 0.001 | 90 | null | 115.85 | null | 90 | null | 682.36 | 0.18 | 295 | null | null | null | null | null | null | null | 5 | C 1 2/m 1 | -C 2y | null | - C10 H10 Cl4 N2 Ta - | - C10 H10 Cl4 N2 Ta - | - C20 H20 Cl8 N4 Ta2 - | 2 | 0.25 | ST1043 | Miller, G. J.; Lin, J.; Young, Jnr, V. | Structure and bonding in [TaCl~4~(C~5~H~5~N)~2~] | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1770 | 1773 | 10.1107/S0108270193003919 | 0.71073 | MoKα | null | 0.042 | null | null | 0.059 | null | null | null | null | 1.05 | 1.05 | null | null | null | has coordinates | Miller, G. J.; Lin, J.; Young, Jnr, V.
Structure and bonding in [TaCl~4~(C~5~H~5~N)~2~]
Acta Crystallographica Section C
49(10)
(1993)
1770-1773 | 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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2,001,303 | 13.784 | 0.004 | 22.51 | 0.004 | 13.409 | 0.003 | 90 | null | 90 | null | 90 | null | 4,160.5 | 1.7 | 295 | null | 295 | null | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | 8-N,N-di-p-toluenesulphonamidoquinoline | - C23 H20 N2 O4 S2 - | - C23 H20 N2 O4 S2 - | - C184 H160 N16 O32 S16 - | 8 | 1 | AS1053 | Lincoln, S. F.; Mahadevan, I. B.; Tiekink, E. R. T.; Ward, A. D. | 8-(<i>N</i>,<i>N</i>-Di-<i>p</i>-toluenesulfonylamino)quinoline | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1775 | 1777 | 10.1107/S0108270193002689 | 0.7107 | MoKα | null | 0.055 | null | null | 0.056 | null | null | null | null | 3.02 | 3.02 | null | null | null | has coordinates | Lincoln, S. F.; Mahadevan, I. B.; Tiekink, E. R. T.; Ward, A. D.
8-(<i>N</i>,<i>N</i>-Di-<i>p</i>-toluenesulfonylamino)quinoline
Acta Crystallographica Section C
49(10)
(1993)
1775-1777 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$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/2/00/13/2001303.cif $
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2,001,304 | 12.647 | 0.006 | 8.277 | 0.001 | 13.551 | 0.006 | 90 | null | 95.88 | 0.03 | 90 | null | 1,411 | 0.9 | 293 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C14 H15 Cl N2 O2 - | - C14 H15 Cl N2 O2 - | - C56 H60 Cl4 N8 O8 - | 4 | 1 | LI1044 | Palmer, R. A.; Puddle, N.; Lisgarten, J. N. | <i>N</i>-(2-Chloro-6-methylphenyl)-6-methyl-3-pyridinecarboxamide hydrate: an anticonvulsant drug exhibiting solid-state rotational disorder | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1777 | 1779 | 10.1107/S0108270193002768 | 1.54178 | CuKα | null | 0.048 | null | null | 0.0501 | null | null | null | null | null | null | null | null | null | has coordinates,has disorder | Palmer, R. A.; Puddle, N.; Lisgarten, J. N.
<i>N</i>-(2-Chloro-6-methylphenyl)-6-methyl-3-pyridinecarboxamide hydrate: an anticonvulsant drug exhibiting solid-state rotational disorder
Acta Crystallographica Section C
49(10)
(1993)
1777-1779 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,305 | 8.9413 | 0.0008 | 7.434 | 0.001 | 10.686 | 0.002 | 90 | null | 101.27 | 0.01 | 90 | null | 696.6 | 0.17 | 298 | null | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C14 H6 N4 O7 - | - C14 H6 N4 O7 - | - C28 H12 N8 O14 - | 2 | 1 | SH1037 | Ramm, M.; Kind, J.; Niclas, H.-J. | Structure of 5,7-dinitro-2,1,3-benzoxadiazol-4-yl phenyl diketone | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1779 | 1781 | 10.1107/S0108270193001659 | 0.71073 | MoKα | null | 0.032 | null | null | 0.042 | null | null | null | null | null | null | null | null | null | has coordinates | Ramm, M.; Kind, J.; Niclas, H.-J.
Structure of 5,7-dinitro-2,1,3-benzoxadiazol-4-yl phenyl diketone
Acta Crystallographica Section C
49(10)
(1993)
1779-1781 | 205,898 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-01-30 16:30:45 +0200 (Tue, 30 Jan 2018) $
#$Revision: 205898 $
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2,001,306 | 10.1029 | 0.0007 | 14.5274 | 0.0009 | 10.8606 | 0.0006 | 90 | null | 109.922 | 0.005 | 90 | null | 1,498.61 | 0.17 | 298 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | null | - C16 H13 N3 S Se - | - C16 H13 N3 S Se - | - C64 H52 N12 S4 Se4 - | 4 | 1 | HU1038 | Billing, D. G.; Boeyens, J. C. A.; Haag, W.; Lai, L.-L.; Reid, D. H. | Structure of 5,10-dihydro-3-phenylimino-1,2,4-thiaselenazolo[4,5-<i>b</i>][2,4]benzodiazepine | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1781 | 1783 | 10.1107/S0108270193001611 | 0.71069 | MoKα | null | 0.0431 | null | null | 0.0349 | null | null | null | null | null | null | null | null | null | has coordinates | Billing, D. G.; Boeyens, J. C. A.; Haag, W.; Lai, L.-L.; Reid, D. H.
Structure of 5,10-dihydro-3-phenylimino-1,2,4-thiaselenazolo[4,5-<i>b</i>][2,4]benzodiazepine
Acta Crystallographica Section C
49(10)
(1993)
1781-1783 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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7,205,661 | 15.2248 | 0.0003 | 36.4392 | 0.0007 | 10.3036 | 0.0002 | 90 | null | 90 | null | 90 | null | 5,716.23 | 0.19 | 100 | 2 | 100 | 2 | null | null | null | null | 5 | I m m a | -I 2b 2 | 74 | - C38 H28 Cu2 N4 O14 - | - C38 H28 Cu2 N4 O14 - | - C152 H112 Cu8 N16 O56 - | 4 | 0.25 | Perman, Jason A.; Cairns, Amy J.; Wojtas, Łukasz; Eddaoudi, Mohamed; Zaworotko, Michael J. | Cocrystal controlled solid-state synthesis of a rigid tetracarboxylate ligand that pillars both square grid and Kagomé lattice layers | CrystEngComm | 2,011 | 13 | 9 | 3130 | 10.1039/c0ce00542h | 1.54178 | CuKα | 0.0452 | 0.0375 | null | null | 0.1018 | 0.1057 | null | null | null | null | null | 1.032 | null | null | has coordinates,has disorder | Perman, Jason A.; Cairns, Amy J.; Wojtas, Łukasz; Eddaoudi, Mohamed; Zaworotko, Michael J.
Cocrystal controlled solid-state synthesis of a rigid tetracarboxylate ligand that pillars both square grid and Kagomé lattice layers
CrystEngComm
13(9)
(2011)
3130 | 180,387 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:19:08 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180387 $
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2,001,307 | 12.478 | 0.001 | 6.223 | 0.001 | 23.024 | 0.011 | 90 | null | 96.36 | 0.03 | 90 | null | 1,776.8 | 0.9 | 298 | null | 298 | null | null | null | null | null | 2 | P 1 21/n 1 | -P 2yn | 14 | 6,6a,7,11b-Tetrahydro-6a-methyl-5-phenyl-5,7-methano-5H- benzo[c]fluorene | - C25 H22 - | - C25 H22 - | - C100 H88 - | 4 | 1 | HH1040 | Sullins, D. W.; Holt, E. M.; Eisenbraun, E. J. | 6,6a,7,11b-Tetrahydro-6a-methyl-5-phenyl-5,7-methano-5<i>H</i>-benzo[<i>c</i>]fluorene and 9-methyl-1,3,9-triphenylfluorene | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1783 | 1786 | 10.1107/S0108270193001647 | 0.71069 | MoKα | null | null | null | null | null | null | null | null | null | 1.12 | 1.12 | null | null | null | has coordinates | Sullins, D. W.; Holt, E. M.; Eisenbraun, E. J.
6,6a,7,11b-Tetrahydro-6a-methyl-5-phenyl-5,7-methano-5<i>H</i>-benzo[<i>c</i>]fluorene and 9-methyl-1,3,9-triphenylfluorene
Acta Crystallographica Section C
49(10)
(1993)
1783-1786 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,001,308 | 10.543 | 0.003 | 11.4 | 0.003 | 10.444 | 0.003 | 106.9 | 0.02 | 77.24 | 0.02 | 107.96 | 0.02 | 1,130.6 | 0.6 | 298 | null | 298 | null | null | null | null | null | 2 | P -1 | -P 1 | 2 | 9-Methyl-1,3,9-triphenyl-4aH-fluorene. | - C32 H24 - | - C32 H24 - | - C64 H48 - | 2 | 1 | HH1040 | Sullins, D. W.; Holt, E. M.; Eisenbraun, E. J. | 6,6a,7,11b-Tetrahydro-6a-methyl-5-phenyl-5,7-methano-5<i>H</i>-benzo[<i>c</i>]fluorene and 9-methyl-1,3,9-triphenylfluorene | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1783 | 1786 | 10.1107/S0108270193001647 | 0.71069 | MoKα | null | null | null | null | null | null | null | null | null | 0.61 | 0.61 | null | null | null | has coordinates | Sullins, D. W.; Holt, E. M.; Eisenbraun, E. J.
6,6a,7,11b-Tetrahydro-6a-methyl-5-phenyl-5,7-methano-5<i>H</i>-benzo[<i>c</i>]fluorene and 9-methyl-1,3,9-triphenylfluorene
Acta Crystallographica Section C
49(10)
(1993)
1783-1786 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,309 | 8.934 | 0.003 | 11.556 | 0.004 | 14.884 | 0.006 | 90 | null | 90 | null | 90 | null | 1,536.6 | 1 | 293 | null | 293 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 2H,3H-2-phenyl-3,4-dimethyl-6-carbonitrile 2R-[2α,3α,6β,9α]- hexahydropyrido [2,1-b][1,3,4] oxadiazin | - C16 H21 N3 O - | - C16 H21 N3 O - | - C64 H84 N12 O4 - | 4 | 1 | PA1042 | Chiaroni, A.; Riche, C.; Guerrier, L.; Royer, J.; Grierson, D. S.; Husson, H.-P. | X-ray diffraction analysis of two hexahydropyrido[2,1-<i>b</i>][1,3,4]oxadiazines: evidence for the effect of steric congestion on anion formation at the aminonitrile centre | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1786 | 1789 | 10.1107/S0108270193002136 | 1.5418 | CuKα | null | 0.041 | null | null | 0.06 | null | null | null | null | 0.82 | 0.82 | null | null | null | has coordinates | Chiaroni, A.; Riche, C.; Guerrier, L.; Royer, J.; Grierson, D. S.; Husson, H.-P.
X-ray diffraction analysis of two hexahydropyrido[2,1-<i>b</i>][1,3,4]oxadiazines: evidence for the effect of steric congestion on anion formation at the aminonitrile centre
Acta Crystallographica Section C
49(10)
(1993)
1786-1789 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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7,205,660 | 32.461 | 0.012 | 18.024 | 0.006 | 19.748 | 0.007 | 90 | null | 119.964 | 0.009 | 90 | null | 10,010 | 6 | 100 | 2 | 100 | 2 | null | null | null | null | 5 | C 1 2/m 1 | -C 2y | 12 | - C30 H10 Cu2 N2 O14 - | - C30 H10 Cu2 N2 O14 - | - C180 H60 Cu12 N12 O84 - | 6 | 0.75 | Perman, Jason A.; Cairns, Amy J.; Wojtas, Łukasz; Eddaoudi, Mohamed; Zaworotko, Michael J. | Cocrystal controlled solid-state synthesis of a rigid tetracarboxylate ligand that pillars both square grid and Kagomé lattice layers | CrystEngComm | 2,011 | 13 | 9 | 3130 | 10.1039/c0ce00542h | 0.71073 | MoKα | 0.1634 | 0.0819 | null | null | 0.1423 | 0.1568 | null | null | null | null | null | 0.951 | null | null | has coordinates | Perman, Jason A.; Cairns, Amy J.; Wojtas, Łukasz; Eddaoudi, Mohamed; Zaworotko, Michael J.
Cocrystal controlled solid-state synthesis of a rigid tetracarboxylate ligand that pillars both square grid and Kagomé lattice layers
CrystEngComm
13(9)
(2011)
3130 | 180,387 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:19:08 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180387 $
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2,001,310 | 11.756 | 0.004 | 7.564 | 0.003 | 17.261 | 0.008 | 90 | null | 99.78 | 0.05 | 90 | null | 1,512.6 | 1.1 | 293 | null | 293 | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | 2H,3H-2-phenyl-3,4-dimethyl-6-carbonitrile 2S-[2β,3α,6β,9β]- hexahydropyrido [2,1-b][1,3,4] oxadiazin | - C16 H21 N3 O - | - C16 H21 N3 O - | - C64 H84 N12 O4 - | 4 | 2 | PA1042 | Chiaroni, A.; Riche, C.; Guerrier, L.; Royer, J.; Grierson, D. S.; Husson, H.-P. | X-ray diffraction analysis of two hexahydropyrido[2,1-<i>b</i>][1,3,4]oxadiazines: evidence for the effect of steric congestion on anion formation at the aminonitrile centre | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1786 | 1789 | 10.1107/S0108270193002136 | 1.5418 | CuKα | null | 0.052 | null | null | 0.064 | null | null | null | null | 0.51 | 0.51 | null | null | null | has coordinates | Chiaroni, A.; Riche, C.; Guerrier, L.; Royer, J.; Grierson, D. S.; Husson, H.-P.
X-ray diffraction analysis of two hexahydropyrido[2,1-<i>b</i>][1,3,4]oxadiazines: evidence for the effect of steric congestion on anion formation at the aminonitrile centre
Acta Crystallographica Section C
49(10)
(1993)
1786-1789 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,311 | 13.98 | 0.004 | 14.788 | 0.003 | 5.119 | 0.003 | 90 | null | 90 | null | 90 | null | 1,058.3 | 0.7 | 296 | 1 | 296 | 1 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | β-cytidine | 4-amino-1-β-D-ribofuranosyl-2(1H)-pyrimidinone | - C9 H13 N3 O5 - | - C9 H13 N3 O5 - | - C36 H52 N12 O20 - | 4 | 1 | AB1018 | Ward, D. L. | β-Cytidine, C~9~H~13~N~3~O~5~ | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1789 | 1792 | 10.1107/S0108270193003464 | 0.71069 | MoKα | 0.0615 | 0.0287 | null | 0.0392 | 0.033 | null | null | null | null | 1.28 | 1.28 | null | null | null | has coordinates | Ward, D. L.
β-Cytidine, C~9~H~13~N~3~O~5~
Acta Crystallographica Section C
49(10)
(1993)
1789-1792 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,001,312 | 6.623 | 0.003 | 18.411 | 0.004 | 15.631 | 0.005 | 90 | null | 96.75 | 0.02 | 90 | null | 1,892.8 | 1.1 | 150 | 1 | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C22 H27 N O5 - | - C22 H27 N O5 - | - C88 H108 N4 O20 - | 4 | 2 | BR1032 | Parvez, M.; Bai, Y.; Sun, F.; Benn, M. H. | Delnuttaline, (6β,9β,13β)-13-acetoxy-6,9-dihydroxyhetisan-2-one | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1871 | 1873 | 10.1107/S0108270193002525 | 0.71069 | MoKα | null | 0.048 | null | null | 0.047 | null | null | null | null | 2.43 | 2.43 | null | null | null | has coordinates | Parvez, M.; Bai, Y.; Sun, F.; Benn, M. H.
Delnuttaline, (6β,9β,13β)-13-acetoxy-6,9-dihydroxyhetisan-2-one
Acta Crystallographica Section C
49(10)
(1993)
1871-1873 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,313 | 9.315 | 0.001 | 11.162 | 0.001 | 7.657 | 0.001 | 108.42 | 0.01 | 93.98 | 0.01 | 98.9 | 0.01 | 740.28 | 0.15 | 296 | null | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C20 H19 F - | - C20 H19 F - | - C40 H38 F2 - | 2 | 1 | GR1009 | Gallucci, J. C.; Sharma, P. K.; Black, S. D.; Rinderle, S. J.; Witiak, D. T. | Structure of 6-fluoro-1,2,3,4,7,12-hexahydro-7-methyl-12-methylenebenz[<i>a</i>]anthracene | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1868 | 1871 | 10.1107/S0108270193003713 | 0.71073 | MoKα | null | 0.041 | null | null | 0.046 | null | null | null | null | 1.44 | 1.44 | null | null | null | has coordinates | Gallucci, J. C.; Sharma, P. K.; Black, S. D.; Rinderle, S. J.; Witiak, D. T.
Structure of 6-fluoro-1,2,3,4,7,12-hexahydro-7-methyl-12-methylenebenz[<i>a</i>]anthracene
Acta Crystallographica Section C
49(10)
(1993)
1868-1871 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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7,205,659 | 11.6967 | 0.0012 | 13.138 | 0.0013 | 13.3989 | 0.0013 | 92.294 | 0.001 | 96.576 | 0.001 | 112.537 | 0.001 | 1,881.4 | 0.3 | 100 | 2 | 100 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | Nitrobenzene solvate | - C44 H26 N6 O16 - | - C44 H26 N6 O16 - | - C88 H52 N12 O32 - | 2 | 1 | Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J. | Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer | CrystEngComm | 2,011 | 13 | 9 | 3175 | 10.1039/c0ce00536c | 0.71073 | MoKα | 0.0383 | 0.0336 | null | null | 0.0852 | 0.0892 | null | null | null | null | null | 1.047 | null | null | has coordinates | Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J.
Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer
CrystEngComm
13(9)
(2011)
3175 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
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2,001,314 | 7.2471 | 0.0004 | 7.2644 | 0.0004 | 14.2762 | 0.0009 | 85.504 | 0.005 | 81.588 | 0.005 | 75.323 | 0.004 | 718.57 | 0.07 | 294 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C13 H20 Br N O2 - | - C13 H20 Br N O2 - | - C26 H40 Br2 N2 O4 - | 2 | 1 | ST1053 | Keblys, V. E.; Garcia, J. G.; Gandour, R. D.; Fronczek, F. R.; Watkins, S. F. | (Benzoylmethyl)(3-hydroxypropyl)dimethylammonium bromide | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1867 | 1868 | 10.1107/S0108270193003610 | 0.71073 | MoKα | null | 0.03 | null | null | 0.031 | null | null | null | null | 1.665 | 1.665 | null | null | null | has coordinates | Keblys, V. E.; Garcia, J. G.; Gandour, R. D.; Fronczek, F. R.; Watkins, S. F.
(Benzoylmethyl)(3-hydroxypropyl)dimethylammonium bromide
Acta Crystallographica Section C
49(10)
(1993)
1867-1868 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,001,315 | 16.356 | 0.004 | 8.07 | 0.002 | 18.379 | 0.003 | 90 | null | 114.55 | 0.01 | 90 | null | 2,206.6 | 0.9 | 296 | null | 296 | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 3,7-Diphenyl-5,6,10,11-Dibenzotricyclo[7.2.1.0^3,8^]dodeca-5,7,10-trien-4-one | - C32 H24 O - | - C32 H24 O - | - C128 H96 O4 - | 4 | 1 | CR1058 | Kashyap, R. P.; Watson, W. H.; Balcı, M.; Taskesenligil, Y. | 3,7-Diphenyl-5,6;10,11-dibenzotricyclo[7.2.1.0^3,8^]dodeca-5,7,10-trien-4-one | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1865 | 1866 | 10.1107/S0108270193004470 | 1.54178 | CuKα | null | 0.0488 | null | null | 0.0513 | null | null | null | null | 4.187 | 4.187 | null | null | null | has coordinates | Kashyap, R. P.; Watson, W. H.; Balcı, M.; Taskesenligil, Y.
3,7-Diphenyl-5,6;10,11-dibenzotricyclo[7.2.1.0^3,8^]dodeca-5,7,10-trien-4-one
Acta Crystallographica Section C
49(10)
(1993)
1865-1866 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,001,316 | 6.357 | 0.001 | 11.429 | 0.001 | 11.706 | 0.001 | 61.87 | 0.01 | 85.52 | 0.01 | 87.56 | 0.01 | 747.72 | 0.16 | 295 | null | 295 | null | null | null | null | null | 2 | P -1 | -P 1 | 2 | 8-Pentacyclo[6.3.0^2,6^.0^3,10^.0^5,9^]undec-3-yl-exo-pentacyclo-[5.4.0.^2,6^.0 ^3,10^.0^5,9^]undecane. | - C22 H26 - | - C22 H26 - | - C44 H52 - | 2 | 1 | HH1068 | Watson, W. H.; Kashyap, R. P.; Marchand, A. P.; Deshpande, M. N. | 8-Pentacyclo[6.3.0.0^2,6^.0^3,10^.0^5,9^]undec-3'-yl-<i>exo</i>-pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1862 | 1865 | 10.1107/S0108270193003907 | 0.71073 | MoKα | null | 0.0504 | null | null | 0.0651 | null | null | null | null | 1.371 | 1.371 | null | null | null | has coordinates | Watson, W. H.; Kashyap, R. P.; Marchand, A. P.; Deshpande, M. N.
8-Pentacyclo[6.3.0.0^2,6^.0^3,10^.0^5,9^]undec-3'-yl-<i>exo</i>-pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane
Acta Crystallographica Section C
49(10)
(1993)
1862-1865 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$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/2/00/13/2001316.cif $
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7,205,658 | 12.2118 | 0.0013 | 21.065 | 0.002 | 13.1639 | 0.0015 | 90 | null | 110.508 | 0.002 | 90 | null | 3,171.7 | 0.6 | 100 | 2 | 100 | 2 | null | null | null | null | 4 | C 1 c 1 | C -2yc | 9 | - C74 H50 N10 O26 - | - C74 H50 N10 O26 - | - C148 H100 N20 O52 - | 2 | 0.5 | Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J. | Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer | CrystEngComm | 2,011 | 13 | 9 | 3175 | 10.1039/c0ce00536c | 0.71073 | MoKα | 0.0605 | 0.0462 | null | null | 0.1005 | 0.1068 | null | null | null | null | null | 1.05 | null | null | has coordinates,has disorder | Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J.
Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer
CrystEngComm
13(9)
(2011)
3175 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
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2,001,317 | 21.972 | 0.002 | 9.2992 | 0.0006 | 12.486 | 0.001 | 90 | null | 90 | null | 90 | null | 2,551.2 | 0.4 | 294 | null | null | null | null | null | null | null | 3 | P b c n | -P 2n 2ab | null | - C17 H16 O3 - | - C17 H16 O3 - | - C136 H128 O24 - | 8 | 1 | AB1054 | Coxon, J. M.; Fong, S. T.; Steel, P. J.; Bott, S. G.; Marchand, A. P.; Zope, U. R. | Structures of two hexacyclic cage diketone monoacetals | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1859 | 1862 | 10.1107/S0108270193003865 | 0.71073 | MoKα | null | 0.044 | null | null | 0.045 | null | null | null | null | 1.07 | 1.07 | null | null | null | has coordinates | Coxon, J. M.; Fong, S. T.; Steel, P. J.; Bott, S. G.; Marchand, A. P.; Zope, U. R.
Structures of two hexacyclic cage diketone monoacetals
Acta Crystallographica Section C
49(10)
(1993)
1859-1862 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$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/2/00/13/2001317.cif $
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2,001,318 | 8.726 | 0.006 | 10.013 | 0.005 | 10.322 | 0.007 | 96.26 | 0.05 | 109.63 | 0.05 | 91.24 | 0.05 | 842.8 | 1 | 175 | null | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C21 H26 O3 - | - C21 H26 O3 - | - C42 H52 O6 - | 2 | 1 | AB1054 | Coxon, J. M.; Fong, S. T.; Steel, P. J.; Bott, S. G.; Marchand, A. P.; Zope, U. R. | Structures of two hexacyclic cage diketone monoacetals | Acta Crystallographica Section C | 1,993 | 49 | 10 | 1859 | 1862 | 10.1107/S0108270193003865 | 0.71073 | MoKα | null | 0.051 | null | null | 0.052 | null | null | null | null | 1.18 | 1.18 | null | null | null | has coordinates | Coxon, J. M.; Fong, S. T.; Steel, P. J.; Bott, S. G.; Marchand, A. P.; Zope, U. R.
Structures of two hexacyclic cage diketone monoacetals
Acta Crystallographica Section C
49(10)
(1993)
1859-1862 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$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/2/00/13/2001318.cif $
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