Information card for entry 2004749

Structure parameters

• Formula: C11 H13 N O4
• Calculated formula: C11 H13 N O4
• SMILES: CCCC(=O)Nc1ccc(cc1)C(=O)OO
• 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: 10.75 ± 0.003 Å
• b: 14.477 ± 0.006 Å
• c: 6.875 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1069.9 ± 0.7 ų
• Cell temperature: 295 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.054
• Goodness-of-fit parameter for significantly intense reflections: 0.88
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No