Information card for entry 2236281

Structure parameters

• Chemical name: 4'-(3-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: Brc1cccc([C@H]2[C@@]3(C4(N(C2)C)C(=O)c2ccccc2C4=O)C(=O)c2ccccc2C3)c1.Brc1cccc([C@@H]2[C@]3(C4(N(C2)C)C(=O)c2ccccc2C4=O)C(=O)c2ccccc2C3)c1
• Title of publication: 4'-(3-Bromophenyl)-1'-methyldispiro[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione
• Authors of publication: Wei, Ang Chee; Ali, Mohamed Ashraf; Choon, Tan Soo; Arshad, Suhana; Razak, Ibrahim Abdul
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2907 - o2908
• a: 8.3998 ± 0.0001 Å
• b: 11.2082 ± 0.0002 Å
• c: 12.4816 ± 0.0002 Å
• α: 112.004 ± 0.001°
• β: 96.85 ± 0.001°
• γ: 93.191 ± 0.001°
• Cell volume: 1075.28 ± 0.03 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0309
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes