Information card for entry 2243868

Structure parameters

• Chemical name: 2-oxo-2-phenylethyl diisopropylcarbamate
• Formula: C15 H21 N O3
• Calculated formula: C15 H21 N O3
• SMILES: O=C(COC(=O)N(C(C)C)C(C)C)c1ccccc1
• Title of publication: Crystal structure of 2-oxo-2-phenylethyl diisopropylcarbamate
• Authors of publication: Martens, Viktor; Görls, Helmar; Imhof, Wolfgang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 8
• Pages of publication: 785 - 787
• a: 18.4574 ± 0.0008 Å
• b: 5.702 ± 0.0002 Å
• c: 14.8058 ± 0.0006 Å
• α: 90°
• β: 113.468 ± 0.001°
• γ: 90°
• Cell volume: 1429.33 ± 0.1 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0718
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes