Information card for entry 2230958

Structure parameters

• Chemical name: 2-(Naphthalen-1-ylamino)cyclohexanol
• Formula: C16 H19 N O
• Calculated formula: C16 H19 N O
• SMILES: O[C@@H]1CCCC[C@H]1Nc1cccc2ccccc12.O[C@H]1CCCC[C@@H]1Nc1cccc2ccccc12
• Title of publication: 2-(Naphthalen-1-ylamino)cyclohexanol
• Authors of publication: Outouch, Rachid; Boualy, Brahim; Ali, Mustapha Ait; Firdoussi, Larbi El; Rizzoli, Corrado
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1628
• a: 12.0278 ± 0.0004 Å
• b: 11.591 ± 0.0003 Å
• c: 9.5566 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1332.33 ± 0.07 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0302
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes