Information card for entry 2231508

Structure parameters

• Chemical name: 4'-(4-Chlorophenyl)-1'-methyldispiro[indan-2,2'-pyrrolidine-3',2''-indan]- 1,3,1''-trione
• Formula: C27 H20 Cl N O3
• Calculated formula: C27 H20 Cl N O3
• SMILES: Clc1ccc([C@@H]2[C@]3(C4(N(C2)C)C(=O)c2ccccc2C4=O)C(=O)c2ccccc2C3)cc1.Clc1ccc([C@H]2[C@@]3(C4(N(C2)C)C(=O)c2ccccc2C4=O)C(=O)c2ccccc2C3)cc1
• Title of publication: 4'-(4-Chlorophenyl)-1'-methyldispiro[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione
• Authors of publication: Wei, Ang Chee; Ali, Mohamed Ashraf; Yoon, Yeong Keng; Quah, Ching Kheng; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2404
• a: 7.8216 ± 0.0001 Å
• b: 21.2865 ± 0.0003 Å
• c: 14.0641 ± 0.0002 Å
• α: 90°
• β: 116.156 ± 0.001°
• γ: 90°
• Cell volume: 2101.81 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0782
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes