Information card for entry 2227555

Structure parameters

• Chemical name: <i>N</i>-Phenylcyclohexanecarboxamide
• Formula: C13 H17 N O
• Calculated formula: C13 H17 N O
• SMILES: O=C(Nc1ccccc1)C1CCCCC1
• Title of publication: <i>N</i>-Phenylcyclohexanecarboxamide
• Authors of publication: Dong, Bin; Zhang, Yu; Wang, Dong-Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2763
• a: 9.943 ± 0.002 Å
• b: 11.839 ± 0.002 Å
• c: 9.6514 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1136.1 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes