Information card for entry 2209981

Structure parameters

• Chemical name: 4-(cyclohexyliminomethyl)cyclohexanol
• Formula: C13 H17 N O
• Calculated formula: C13 H17 N O
• SMILES: Oc1ccc(cc1)/C=N/C1CCCCC1
• Title of publication: 4-(Cyclohexyliminomethyl)phenol
• Authors of publication: Wu Li; Tao Zeng; Yang Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3432 - o3433
• a: 5.6582 ± 0.0016 Å
• b: 17.453 ± 0.005 Å
• c: 11.833 ± 0.003 Å
• α: 90°
• β: 97.102 ± 0.005°
• γ: 90°
• Cell volume: 1159.6 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes