Information card for entry 2221722

Structure parameters

• Chemical name: Phenyl <i>N</i>-(4-fluorophenyl)carbamate
• Formula: C13 H10 F N O2
• Calculated formula: C13 H10 F N O2
• SMILES: O=C(Oc1ccccc1)Nc1ccc(cc1)F
• Title of publication: Phenyl <i>N</i>-(4-fluorophenyl)carbamate
• Authors of publication: Yang, Zhao; Wang, Zhi-Xiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1036
• a: 5.886 ± 0.0012 Å
• b: 7.854 ± 0.0016 Å
• c: 24.761 ± 0.005 Å
• α: 96.62 ± 0.03°
• β: 92.82 ± 0.03°
• γ: 91.19 ± 0.03°
• Cell volume: 1135.3 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1788
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes