Information card for entry 2215303

Structure parameters

• Chemical name: 2-[2-(1,3-Dioxoisoindolin-2-yl)phenyl]isoindoline-1,3-dione
• Formula: C22 H12 N2 O4
• Calculated formula: C22 H12 N2 O4
• SMILES: O=C1N(C(=O)c2c1cccc2)c1c(N2C(=O)c3c(C2=O)cccc3)cccc1
• Title of publication: 2-[2-(1,3-Dioxoisoindolin-2-yl)phenyl]isoindoline-1,3-dione
• Authors of publication: Xiao-Yan Wu; Dong-Sheng Zhu; Yan-Hua Wang; Chao-Guang Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3694 - o3694
• a: 10.7765 ± 0.001 Å
• b: 16.9259 ± 0.0017 Å
• c: 10.8518 ± 0.001 Å
• α: 90°
• β: 116.78 ± 0.001°
• γ: 90°
• Cell volume: 1767.1 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes