Information card for entry 2207067

Structure parameters

• Chemical name: 1'-Phenyl-2',3',5',6',7',7a'-hexahydroindan-2-spiro-2'-1H-pyrrolizidine-3'- spiro-11'-indeno[1,2-b]quinoxaline-1,3-dione
• Formula: C35 H25 N3 O2
• Calculated formula: C35 H25 N3 O2
• SMILES: [C@@]12(C3([C@H]([C@@H]4CCCN24)c2ccccc2)C(=O)c2ccccc2C3=O)c2ccccc2c2c1nc1c(cccc1)n2.[C@]12(C3([C@@H]([C@H]4CCCN24)c2ccccc2)C(=O)c2ccccc2C3=O)c2ccccc2c2c1nc1c(cccc1)n2
• Title of publication: 1'-Phenyl-2',3',5',6',7',7a'-hexahydroindan-2-spiro-2'-1<i>H</i>-pyrrolizine-3'-spiro-11'-indeno[1,2-<i>b</i>]quinoxaline-1,3-dione
• Authors of publication: D. Gayathri; P. G. Aravindan; D. Velmurugan; K. Ravikumar; A. R. Sureshbabu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3124 - o3126
• a: 11.1149 ± 0.0014 Å
• b: 12.467 ± 0.0016 Å
• c: 18.646 ± 0.002 Å
• α: 90°
• β: 99.415 ± 0.002°
• γ: 90°
• Cell volume: 2549 ± 0.5 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: 0.0586
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1279
• 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