Information card for entry 1520150

Structure parameters

• Chemical name: 4-acetamidophenyl acetate
• Formula: C10 H11 N O3
• Calculated formula: C10 H11 N O3
• SMILES: c1(ccc(cc1)OC(=O)C)NC(=O)C
• Title of publication: 4-acetamidophenyl acetate
• Authors of publication: Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 1393
• a: 13.877 ± 0.0004 Å
• b: 9.5769 ± 0.0004 Å
• c: 7.4415 ± 0.0003 Å
• α: 90°
• β: 103.022 ± 0.002°
• γ: 90°
• Cell volume: 963.53 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No