Information card for entry 2236161

Structure parameters

• Chemical name: (4-Methoxyphenyl)(4-methylcyclohexyl)methanone
• Formula: C15 H20 O2
• Calculated formula: C15 H20 O2
• SMILES: O(C)c1ccc(cc1)C(=O)C1CCC(CC1)C
• Title of publication: (4-Methoxyphenyl)(4-methylcyclohexyl)methanone
• Authors of publication: Liu, Wei; Tang, Lida
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2850
• a: 5.7003 ± 0.0018 Å
• b: 7.279 ± 0.002 Å
• c: 30.76 ± 0.01 Å
• α: 96.7 ± 0.009°
• β: 94.38 ± 0.016°
• γ: 93.332 ± 0.012°
• Cell volume: 1261 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes