Information card for entry 2232605

Structure parameters

• Chemical name: 1',6-Dimethyl-4'-phenyldispiro[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: O1c2c(C[C@]3(C1=O)[C@@]1(c4c(NC1=O)cccc4)N(C[C@@H]3c1ccccc1)C)cc(cc2)C.O1c2c(C[C@@]3(C1=O)[C@]1(c4c(NC1=O)cccc4)N(C[C@H]3c1ccccc1)C)cc(cc2)C
• Title of publication: 1',6-Dimethyl-4'-phenyldispiro[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: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3516 - o3517
• a: 11.1019 ± 0.0005 Å
• b: 11.174 ± 0.0004 Å
• c: 17.8156 ± 0.0007 Å
• α: 90°
• β: 100.986 ± 0.002°
• γ: 90°
• Cell volume: 2169.57 ± 0.15 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: 0.0742
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes