Information card for entry 2231727

Structure parameters

• Chemical name: 4'-[5-(4-Fluorophenyl)pyridin-3-yl]-1'-methyldispiro[indan-2,2'-pyrrolidine- 3',2''-indan]-1,3,1''-trione
• Formula: C32 H23 F N2 O3
• Calculated formula: C32 H23 F N2 O3
• SMILES: Fc1ccc(c2cncc([C@@H]3[C@]4(C5(N(C3)C)C(=O)c3ccccc3C5=O)C(=O)c3ccccc3C4)c2)cc1.Fc1ccc(c2cncc([C@H]3[C@@]4(C5(N(C3)C)C(=O)c3ccccc3C5=O)C(=O)c3ccccc3C4)c2)cc1
• Title of publication: 4'-[5-(4-Fluorophenyl)pyridin-3-yl]-1'-methyldispiro[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione
• Authors of publication: Wei, Ang Chee; Ali, Mohamed Ashraf; Ismail, Rusli; Quah, Ching Kheng; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2381 - o2382
• a: 14.8997 ± 0.0002 Å
• b: 7.7993 ± 0.0001 Å
• c: 23.0188 ± 0.0003 Å
• α: 90°
• β: 112.638 ± 0.001°
• γ: 90°
• Cell volume: 2468.86 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0936
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes