Information card for entry 2004748

Structure parameters

• Common name: p-propanamidoperbenzoic
• Chemical name: p-propanamidoperbenzoic acid
• Formula: C10 H11 N O4
• Calculated formula: C10 H11 N O4
• SMILES: c1(C(=O)OO)ccc(NC(=O)CC)cc1
• Title of publication: Structures of Four <i>p</i>-Amidoperbenzoic Acids
• Authors of publication: Feeder, N.; Jones, W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 919 - 923
• a: 4.8853 ± 0.001 Å
• b: 15.68 ± 0.004 Å
• c: 12.793 ± 0.003 Å
• α: 90°
• β: 92.21 ± 0.02°
• γ: 90°
• Cell volume: 979.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0855
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections: 0.1339
• Weighted residual factors for significantly intense reflections: 0.118
• Goodness-of-fit parameter for all reflections: 0.827
• Goodness-of-fit parameter for significantly intense reflections: 0.977
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No