Information card for entry 2238668

Structure parameters

• Chemical name: Ethyl <i>N</i>-(2-acetyl-3-oxo-1-phenylbutyl)carbamate
• Formula: C15 H19 N O4
• Calculated formula: C15 H19 N O4
• SMILES: O(C(=O)NC(C(C(=O)C)C(=O)C)c1ccccc1)CC
• Title of publication: Ethyl <i>N</i>-(2-acetyl-3-oxo-1-phenylbutyl)carbamate
• Authors of publication: Volov, Alexander N.; Zamilatskov, Ilia A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: o1529
• a: 5.392 ± 0.002 Å
• b: 9.204 ± 0.002 Å
• c: 15.841 ± 0.006 Å
• α: 81.58 ± 0.02°
• β: 81.98 ± 0.02°
• γ: 89.13 ± 0.03°
• Cell volume: 770.1 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1991
• Weighted residual factors for all reflections included in the refinement: 0.2308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No