Information card for entry 2201869

Structure parameters

• Chemical name: Succinimido 2-acetoxybenzoate
• Formula: C13 H11 N O6
• Calculated formula: C13 H11 N O6
• SMILES: N1(OC(=O)c2ccccc2OC(=O)C)C(=O)CCC1=O
• Title of publication: Succinimido 2-acetoxybenzoate
• Authors of publication: Zou, Wuxin; Gao, Yu; Sugiyama, Teruki; Matsuura, Teruo; Meng, Jiben
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: o80 - o82
• a: 5.93 ± 0.003 Å
• b: 9.647 ± 0.006 Å
• c: 22.331 ± 0.009 Å
• α: 90°
• β: 90.64 ± 0.05°
• γ: 90°
• Cell volume: 1277.4 ± 1.1 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: 0.1215
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.1867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes