Information card for entry 2214394

Structure parameters

• Chemical name: 5''-Benzylidene-1''-methyl-4',5'-diphenyl-1H-indole-3-spiro-2'-pyrrolidine-\ 3'-spiro-3''-piperidine-2,4''-dione
• Formula: C35 H31 N3 O2
• Calculated formula: C35 H31 N3 O2
• SMILES: [C@]12([C@@]3([C@@H]([C@@H](c4ccccc4)N2)c2ccccc2)CN(C/C(=C\c2ccccc2)C3=O)C)C(=O)Nc2ccccc12.[C@@]12([C@]3([C@H]([C@H](c4ccccc4)N2)c2ccccc2)CN(C/C(=C\c2ccccc2)C3=O)C)C(=O)Nc2ccccc12
• Title of publication: 5''-Benzylidene-1''-methyl-4',5'-diphenyl-1<i>H</i>-indole-3-spiro-2'-pyrrolidine-3'-spiro-3''-piperidine-2,4''-dione
• Authors of publication: B. Ravi Kumar; S. Pandiarajan; V. Ramakrishnan; R. Ranjith Kumar; S. Perumal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3221 - o3221
• a: 10.194 ± 0.004 Å
• b: 10.681 ± 0.005 Å
• c: 15.352 ± 0.008 Å
• α: 80.76 ± 0.04°
• β: 80.31 ± 0.02°
• γ: 72.71 ± 0.05°
• Cell volume: 1562.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1378
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No