Information card for entry 2236035

Structure parameters

• Chemical name: (1<i>S</i>,3<i>R</i>)-3-Isobutyl-2,3-dihydrospiro[benzo[<i>f</i>]isoindole- 1,3'-indoline]-2',4,9-trione methanol monosolvate
• Formula: C24 H24 N2 O4
• Calculated formula: C24 H24 N2 O4
• SMILES: O=C1c2c(cccc2)C(=O)C2=C1[C@H](N[C@@]12C(=O)Nc2c1cccc2)CC(C)C.OC.O=C1c2c(cccc2)C(=O)C2=C1[C@@H](N[C@]12C(=O)Nc2c1cccc2)CC(C)C.OC
• Title of publication: (1<i>S</i>,3<i>R</i>)-3-Isobutyl-2,3-dihydrospiro[benzo[<i>f</i>]isoindole-1,3'-indoline]-2',4,9-trione methanol monosolvate
• Authors of publication: Sharma, Garima; Kumar, S. Vasanth; Wahab, Habibah A.; Rosli, Mohd Mustaqim; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2522 - o2523
• a: 10.8485 ± 0.0002 Å
• b: 11.9605 ± 0.0002 Å
• c: 16.5705 ± 0.0003 Å
• α: 90°
• β: 111.246 ± 0.001°
• γ: 90°
• Cell volume: 2003.95 ± 0.06 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0745
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes