Information card for entry 2213168

Structure parameters

• Chemical name: 5-Benzylidene-1-phenyl-2'',3''-dihydropiperidine-3-spiro-2'-pyrrolizidine- 3'-spiro-3''-1H-indole-4,2''-dione
• Formula: C32 H31 N3 O2
• Calculated formula: C32 H31 N3 O2
• SMILES: [C@]12([C@]3([C@@H]([C@H]4CCCN24)c2ccccc2)C(=O)/C(=C/c2ccccc2)CN(C3)C)C(=O)Nc2ccccc12.[C@@]12([C@@]3([C@H]([C@@H]4CCCN24)c2ccccc2)C(=O)/C(=C/c2ccccc2)CN(C3)C)C(=O)Nc2ccccc12
• Title of publication: 5-Benzylidene-1-phenyl-2'',3''-dihydropiperidine-3-spiro-2'-pyrrolizidine-3'-spiro-3''-1<i>H</i>-indole-4,2''-dione
• Authors of publication: V. Vinodh Kumar; D. Gayathri; D. Velmurugan; K. Ravikumar; Gowri Sridhar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2211 - o2212
• a: 8.712 ± 0.0004 Å
• b: 20.5711 ± 0.001 Å
• c: 14.9467 ± 0.0007 Å
• α: 90°
• β: 99.322 ± 0.001°
• γ: 90°
• Cell volume: 2643.3 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes