Information card for entry 2224939

Structure parameters

• Chemical name: Bis[2-(1,3-dioxoisoindolin-2-yl)ethyl] phthalate
• Formula: C28 H20 N2 O8
• Calculated formula: C28 H20 N2 O8
• SMILES: C1(=O)c2ccccc2C(=O)N1CCOC(=O)c1ccccc1C(=O)OCCN1C(=O)c2ccccc2C1=O
• Title of publication: Bis[2-(1,3-dioxoisoindolin-2-yl)ethyl] phthalate
• Authors of publication: Yang, Kai; Guo, Qiang; Wang, Shi-Fan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o337
• a: 15.021 ± 0.002 Å
• b: 12.3953 ± 0.0019 Å
• c: 25.954 ± 0.004 Å
• α: 90°
• β: 90.125 ± 0.002°
• γ: 90°
• Cell volume: 4832.4 ± 1.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.057
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes