Information card for entry 2202399

Structure parameters

• Chemical name: 5''-Benzylidene-1'-methyl-4'-phenylindole-3-spiro-2'-pyrrolidine-3'-spiro-3''- piperidine-2(3H),4''-dione
• Formula: C30 H29 N3 O2
• Calculated formula: C30 H29 N3 O2
• SMILES: N1c2ccccc2[C@]2(C1=O)N(C[C@H]([C@]12CN(C/C(=C\c2ccccc2)C1=O)C)c1ccccc1)C.N1c2ccccc2[C@@]2(C1=O)N(C[C@@H]([C@@]12CN(C/C(=C\c2ccccc2)C1=O)C)c1ccccc1)C
• Title of publication: 5''-Benzylidene-1'-methyl-4'-phenylindole-3-spiro-2'-pyrrolidine-3'-spiro-3''-piperidine-2(3<i>H</i>),4''-dione
• Authors of publication: M. M. Govind; S. Selvanayagam; D. Velmurugan; K. Ravikumar; Gowri Sridhar; R. Raghunathan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o1878 - o1880
• a: 10.6889 ± 0.0007 Å
• b: 18.9025 ± 0.0012 Å
• c: 12.527 ± 0.0008 Å
• α: 90°
• β: 95.283 ± 0.001°
• γ: 90°
• Cell volume: 2520.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes