Information card for entry 2206129

Structure parameters

• Chemical name: 2'-Benzoyl-1'-(4-chlorophenyl)-5',6',7',7a'-tetrahydrospiro[indan- 2,3'(2'H)-1H-pyrrolizidine]-1,3-dione
• Formula: C28 H22 Cl N O3
• Calculated formula: C28 H22 Cl N O3
• SMILES: Clc1ccc([C@H]2[C@H]3N(C4([C@@H]2C(=O)c2ccccc2)C(=O)c2ccccc2C4=O)CCC3)cc1.Clc1ccc([C@@H]2[C@@H]3N(C4([C@H]2C(=O)c2ccccc2)C(=O)c2ccccc2C4=O)CCC3)cc1
• Title of publication: 2'-Benzoyl-1'-(4-chlorophenyl)-5',6',7',7a'-tetrahydrospiro[indan-2,3'(2'<i>H</i>)-1<i>H</i>-pyrrolizine]-1,3-dione
• Authors of publication: S. Kalyanasundaram; S. Selvanayagam; D. Velmurugan; K. Ravikumar; M. Poornachandran; R. Raghunathan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2158 - o2160
• a: 8.2023 ± 0.0005 Å
• b: 11.7111 ± 0.0007 Å
• c: 25.465 ± 0.0015 Å
• α: 102.102 ± 0.001°
• β: 90.014 ± 0.001°
• γ: 103.949 ± 0.001°
• Cell volume: 2317.9 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.056
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes