Information card for entry 2232302

Structure parameters

• Chemical name: 4'-(4-Bromophenyl)-1'-methyldispiro[indan-2,2'-pyrrolidine-3',2''-indan]- 1,3,1''-trione
• Formula: C27 H20 Br N O3
• Calculated formula: C27 H20 Br N O3
• SMILES: Brc1ccc(cc1)[C@@H]1CN(C2([C@@]31Cc1ccccc1C3=O)C(=O)c1ccccc1C2=O)C.Brc1ccc(cc1)[C@H]1CN(C2([C@]31Cc1ccccc1C3=O)C(=O)c1ccccc1C2=O)C
• Title of publication: 4'-(4-Bromophenyl)-1'-methyldispiro[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione
• Authors of publication: Wei, Ang Chee; Ali, Mohamed Ashraf; Ismail, Rusli; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o3124
• a: 7.8392 ± 0.0001 Å
• b: 21.5849 ± 0.0005 Å
• c: 12.7823 ± 0.0003 Å
• α: 90°
• β: 98.422 ± 0.001°
• γ: 90°
• Cell volume: 2139.55 ± 0.08 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0648
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes