Information card for entry 2202380

Structure parameters

• Chemical name: 2'-Benzoyl-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 H22 N2 O4
• Calculated formula: C29 H22 N2 O4
• SMILES: N1C(=O)[C@@]2(c3ccccc13)[C@H](C(=O)c1ccccc1)C1(C(=O)c3ccccc3C1=O)N1CCC[C@@H]21.N1C(=O)[C@]2(c3ccccc13)[C@@H](C(=O)c1ccccc1)C1(C(=O)c3ccccc3C1=O)N1CCC[C@H]21
• Title of publication: 2'-Benzoyl-1',2,2',3,4',5',6',6a'-octahydro-1<i>H</i>-indan-2-spiro-3'-(3'<i>H</i>-pyrrolizine)-1'-spiro-3''-1<i>H</i>-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: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: o1559 - o1561
• a: 13.1419 ± 0.001 Å
• b: 12.5844 ± 0.0009 Å
• c: 14.011 ± 0.0011 Å
• α: 90°
• β: 100.601 ± 0.002°
• γ: 90°
• Cell volume: 2277.6 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0926
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1709
• 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