Information card for entry 2013612

Structure parameters

• Chemical name: Ethyl N-phenyloxamate
• Formula: C10 H11 N O3
• Calculated formula: C10 H11 N O3
• SMILES: c1(ccccc1)NC(=O)C(=O)OCC
• Title of publication: Ethyl <i>N</i>-phenyloxamate
• Authors of publication: Efrén V. García-Báez; Carlos Z. Gómez-Castro; Herbert Höpfl; Francisco J. Martínez-Martínez; Itzia I. Padilla-Martínez
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: o541 - o543
• a: 7.8033 ± 0.0005 Å
• b: 10.6424 ± 0.0007 Å
• c: 13.2432 ± 0.0009 Å
• α: 108.491 ± 0.001°
• β: 96.081 ± 0.001°
• γ: 110.165 ± 0.001°
• Cell volume: 950.03 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0499
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes