Information card for entry 8102622

Structure parameters

• Formula: C24 H21 Cl N4 O2 S
• Calculated formula: C24 H21 Cl N4 O2 S
• SMILES: Clc1c([C@@H]2[C@]3(SC4=NCCN4C3=O)[C@@]3(N4[C@H]2CCC4)C(=O)Nc2c3cccc2)cccc1.Clc1c([C@H]2[C@@]3(SC4=NCCN4C3=O)[C@]3(N4[C@@H]2CCC4)C(=O)Nc2c3cccc2)cccc1
• Title of publication: Crystal structure of 1'-(2-chlorophenyl)-5,5',6,6',7',7a'-hexahydro-1'H-dispiro[imidazo[2,1-b][1,3]thiazole-2,2'-pyrrolizine-3',3''-indole]-2'',3(1''H)-dione, C24H21ClN4O2S
• Authors of publication: Zhao-Hui Hou; Bin Liu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 1
• Pages of publication: 117
• a: 8.6798 ± 0.0018 Å
• b: 11.078 ± 0.002 Å
• c: 11.372 ± 0.002 Å
• α: 78.984 ± 0.007°
• β: 81.867 ± 0.01°
• γ: 81.718 ± 0.011°
• Cell volume: 1054.8 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No