Information card for entry 2220239

Structure parameters

• Chemical name: 3,7-Dihydroxy-3,7-diphenyl-2<i>H</i>,6<i>H</i>-pyrrolo[3,4-f]isoindole- 1,5(3<i>H</i>,7<i>H</i>)-dione methanol disolvate
• Formula: C24 H24 N2 O6
• Calculated formula: C24 H24 N2 O6
• SMILES: O=C1N[C@](c2c1cc1c(c2)C(=O)N[C@@]1(O)c1ccccc1)(O)c1ccccc1.OC.OC
• Title of publication: 3,7-Dihydroxy-3,7-diphenyl-2<i>H</i>,6<i>H</i>-pyrrolo[3,4-<i>f</i>]isoindole-1,5(3<i>H</i>,7<i>H</i>)-dione methanol disolvate
• Authors of publication: Liu, Shan; Liu, Jing-Ning; Jiang, Peng; Chu, Qing-Yan; Zhu, Hong-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2479
• a: 17.767 ± 0.004 Å
• b: 6.63 ± 0.0013 Å
• c: 20.215 ± 0.004 Å
• α: 90°
• β: 106.59 ± 0.03°
• γ: 90°
• Cell volume: 2282.1 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1576
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes