Information card for entry 2203030

Structure parameters

• Chemical name: 2'-p-Chlorobenzoyl-1',2, 2',3,4',5',6',6a'-octahydro-1H-indan-2-spiro-3'- (3'H-pyrrolizine)-1'-spiro-3"-1H-indoline-1, 2",3-trione.
• Formula: C29 H21 Cl N2 O4
• Calculated formula: C29 H21 Cl N2 O4
• SMILES: Clc1ccc(C(=O)[C@@H]2[C@@]3(C(=O)Nc4c3cccc4)[C@@H]3N(C42C(=O)c2ccccc2C4=O)CCC3)cc1.Clc1ccc(C(=O)[C@H]2[C@]3(C(=O)Nc4c3cccc4)[C@H]3N(C42C(=O)c2ccccc2C4=O)CCC3)cc1
• Title of publication: 2'-(<i>p</i>-Chlorobenzoyl)-2,2',3,3',4',5',6',6a'-octahydro-1<i>H</i>-indan-2-spiro-3'-(1<i>H</i>-pyrrolizine)-1'-spiro-3''-indoline-1,2'',3-trione
• Authors of publication: P. R. Seshadri; S. Selvanayagam; D. Velmurugan; K. Ravikumar; A. R. Sureshbabu; R. Raghunathan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: o126 - o128
• a: 8.0057 ± 0.0006 Å
• b: 11.7864 ± 0.0009 Å
• c: 13.6991 ± 0.0011 Å
• α: 109.164 ± 0.001°
• β: 102.19 ± 0.001°
• γ: 96.484 ± 0.001°
• Cell volume: 1169.98 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes