Information card for entry 2224181

Structure parameters

• Chemical name: 1-(3-<i>p</i>-Tolylisoxazol-5-yl)cyclohexanol
• Formula: C16 H19 N O2
• Calculated formula: C16 H19 N O2
• SMILES: Cc1ccc(cc1)c1noc(c1)C1(O)CCCCC1
• Title of publication: 1-(3-<i>p</i>-Tolylisoxazol-5-yl)cyclohexanol
• Authors of publication: Khalil, Ouafaa; Bougrin, Khalid; Benhida, Rachid; Soufiaoui, Mohamed; Ammari, Lahcen El
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o2971
• a: 10.9404 ± 0.0003 Å
• b: 9.7136 ± 0.0003 Å
• c: 26.9207 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2860.88 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.05
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes