Information card for entry 2210539

Structure parameters

• Chemical name: 2-(4-hydroxyphenyl)isoindoline-1,3-dione
• Formula: C14 H9 N O3
• Calculated formula: C14 H9 N O3
• SMILES: O=C1N(C(=O)c2c1cccc2)c1ccc(O)cc1
• Title of publication: 2-(4-Hydroxyphenyl)isoindoline-1,3-dione
• Authors of publication: Liang, Zu-Pei; Li, Jian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4436 - o4437
• a: 11.524 ± 0.003 Å
• b: 7.7133 ± 0.0019 Å
• c: 24.89 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2212.4 ± 1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes