Information card for entry 2232301

Structure parameters

• Chemical name: 1'-Methyl-4'-[4-(trifluoromethyl)phenyl]dispiro[indan-2,2'-pyrrolidine- 3',2''-indan]-1,3,1''-trione
• Formula: C28 H20 F3 N O3
• Calculated formula: C28 H20 F3 N O3
• SMILES: FC(F)(F)c1ccc([C@H]2CN(C3(C(=O)c4ccccc4C3=O)[C@]32Cc2ccccc2C3=O)C)cc1.FC(F)(F)c1ccc([C@@H]2CN(C3(C(=O)c4ccccc4C3=O)[C@@]32Cc2ccccc2C3=O)C)cc1
• Title of publication: 1'-Methyl-4'-[4-(trifluoromethyl)phenyl]dispiro[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione
• Authors of publication: Wei, Ang Chee; Ali, Mohamed Ashraf; Choon, Tan Soo; 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: o3125
• a: 7.807 ± 0.0002 Å
• b: 22.0878 ± 0.0005 Å
• c: 13.1278 ± 0.0003 Å
• α: 90°
• β: 101.42 ± 0.002°
• γ: 90°
• Cell volume: 2218.93 ± 0.09 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: 0.1336
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes