Information card for entry 2239145

Structure parameters

• Chemical name: 5''-Benzylidene-5-chloro-1',1''-dimethyl-4'-phenyldispiro[indoline-3,2'-pyrrolidine-3',3''-piperidine]-2,4''-dione
• Formula: C30 H28 Cl N3 O2
• Calculated formula: C30 H28 Cl N3 O2
• SMILES: Clc1ccc2NC(=O)[C@]3(N(C[C@H]([C@]43CN(CC(=C\c3ccccc3)/C4=O)C)c3ccccc3)C)c2c1.Clc1ccc2NC(=O)[C@@]3(N(C[C@@H]([C@@]43CN(CC(=C\c3ccccc3)/C4=O)C)c3ccccc3)C)c2c1
• Title of publication: 5''-Benzylidene-5-chloro-1',1''-dimethyl-4'-phenyldispiro[indoline-3,2'-pyrrolidine-3',3''-piperidine]-2,4''-dione
• Authors of publication: Farag, I. S. Ahmed; Girgis, Adel S.; Ramadan, A. A.; Moustafa, A. M.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: o22 - o23
• a: 10.5028 ± 0.0003 Å
• b: 20.4117 ± 0.0006 Å
• c: 11.9951 ± 0.0004 Å
• α: 90°
• β: 94.877 ± 0.001°
• γ: 90°
• Cell volume: 2562.2 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1657
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes