Information card for entry 2215538

Structure parameters

• Chemical name: Perhydrophthalimide
• Formula: C8 H11 N O2
• Calculated formula: C8 H11 N O2
• SMILES: O=C1NC(=O)[C@H]2CCCC[C@@H]12
• Title of publication: Perhydrophthalimide
• Authors of publication: Wang, De-Cai; Jiang, Liang; Lin, Wei; Pan, Yong; Sun, Ning-Ning
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o3990 - o3990
• a: 6.7574 ± 0.0012 Å
• b: 7.8615 ± 0.0014 Å
• c: 14.371 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 763.4 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes