Information card for entry 2233097

Structure parameters

• Chemical name: 1'-Methyl-4'-(4-methylphenyl)dispiro[1-benzopyran-3(4<i>H</i>),3'- pyrrolidine-2',3''-indoline]-2,2''-dione
• Formula: C27 H24 N2 O3
• Calculated formula: C27 H24 N2 O3
• SMILES: [C@@]12([C@]3([C@H](CN2C)c2ccc(cc2)C)Cc2ccccc2OC3=O)C(=O)Nc2ccccc12.[C@]12([C@@]3([C@@H](CN2C)c2ccc(cc2)C)Cc2ccccc2OC3=O)C(=O)Nc2ccccc12
• Title of publication: 1'-Methyl-4'-(4-methylphenyl)dispiro[1-benzopyran-3(4<i>H</i>),3'-pyrrolidine-2',3''-indoline]-2,2''-dione
• Authors of publication: Lakshmanan, D.; Murugavel, S.; Kannan, D.; Bakthadoss, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o11
• a: 10.4543 ± 0.0003 Å
• b: 14.6018 ± 0.0004 Å
• c: 14.7266 ± 0.0004 Å
• α: 90°
• β: 104.043 ± 0.002°
• γ: 90°
• Cell volume: 2180.85 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0858
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes