Information card for entry 2237935

Structure parameters

• Chemical name: 4'-(4-Fluorophenyl)-1'-methyldispiro[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione methanol hemisolvate
• Formula: C29.5 H26 F N O5.5
• Calculated formula: C29.5 H26 F N O5.5
• SMILES: Fc1ccc([C@H]2[C@]3(C(=O)c4cc(OC)c(OC)cc4C3)C3(N(C2)C)C(=O)c2ccccc2C3=O)cc1.Fc1ccc([C@@H]2[C@@]3(C(=O)c4cc(OC)c(OC)cc4C3)C3(N(C2)C)C(=O)c2ccccc2C3=O)cc1.OC
• Title of publication: 4'-(4-Fluorophenyl)-1'-methyldispiro[indane-2,2'-pyrrolidine-3',2''-indane]-1,3,1''-trione methanol hemisolvate
• Authors of publication: Ali, Mohamed Ashraf; Manogaran, Elumalai; Choon, Tan Soo; Rosli, Mohd Mustaqim; Razak, Ibrahim Abdul
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o746 - o747
• a: 14.6385 ± 0.0006 Å
• b: 12.5099 ± 0.0006 Å
• c: 26.2017 ± 0.001 Å
• α: 90°
• β: 92.645 ± 0.001°
• γ: 90°
• Cell volume: 4793.1 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1474
• 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