Information card for entry 2217501

Structure parameters

• Chemical name: 4-Nitrophenyl N-phenylcarbamate
• Formula: C13 H10 N2 O4
• Calculated formula: C13 H10 N2 O4
• SMILES: c1(NC(=O)Oc2ccc(N(=O)=O)cc2)ccccc1
• Title of publication: 4-Nitrophenyl <i>N</i>-phenylcarbamate
• Authors of publication: Xu, Yun-Hua; Qu, Fanqi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o404 - o404
• a: 6.017 ± 0.0002 Å
• b: 5.065 ± 0.0001 Å
• c: 18.896 ± 0.0005 Å
• α: 90°
• β: 92.538 ± 0.001°
• γ: 90°
• Cell volume: 575.31 ± 0.03 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes