Information card for entry 2224634

Structure parameters

• Chemical name: Phenyl <i>N</i>-cyclohexylcarbamate
• Formula: C13 H17 N O2
• Calculated formula: C13 H17 N O2
• SMILES: O(c1ccccc1)C(=O)NC1CCCCC1
• Title of publication: Phenyl <i>N</i>-cyclohexylcarbamate
• Authors of publication: Shahwar, Durre; Tahir, M. Nawaz; Ahmad, Naeem; Ullah, Sami; Khan, Muhammad Akmal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o22
• a: 11.4724 ± 0.0011 Å
• b: 9.3554 ± 0.0008 Å
• c: 11.5212 ± 0.001 Å
• α: 90°
• β: 92.38 ± 0.005°
• γ: 90°
• Cell volume: 1235.49 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1114
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes