Information card for entry 2233747

Structure parameters

• Chemical name: 1'-Methyl-4'-phenyldispiro[chromane-3,3'-pyrrolidine-2',3''- indoline]-2,2''-dione
• Formula: C26 H22 N2 O3
• Calculated formula: C26 H22 N2 O3
• SMILES: [C@]12(C(=O)Nc3ccccc13)[C@]1(C(=O)Oc3ccccc3C1)[C@@H](c1ccccc1)CN2C.[C@@]12(C(=O)Nc3ccccc13)[C@@]1(C(=O)Oc3ccccc3C1)[C@H](c1ccccc1)CN2C
• Title of publication: 1'-Methyl-4'-phenyldispiro[chromane-3,3'-pyrrolidine-2',3''-indoline]-2,2''-dione
• Authors of publication: Ganapathy, Jagadeesan; Damodharan, Kannan; Manickam, Bakthadoss; Sanmargam, Aravindhan; Krishnasamy, Gunasekaran
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o915
• a: 8.928 ± 0.0004 Å
• b: 10.0923 ± 0.0004 Å
• c: 11.9044 ± 0.0005 Å
• α: 95.027 ± 0.001°
• β: 93.172 ± 0.001°
• γ: 98.991 ± 0.002°
• Cell volume: 1052.78 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.1904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes