Information card for entry 2237495

Structure parameters

• Chemical name: (4-Ethylcyclohexyl)(4-methoxyphenyl)methanone
• Formula: C16 H22 O2
• Calculated formula: C16 H22 O2
• SMILES: O(C)c1ccc(cc1)C(=O)C1CCC(CC1)CC
• Title of publication: (4-Ethylcyclohexyl)(4-methoxyphenyl)methanone
• Authors of publication: Ding, Chun-Lei; Wu, Yong-Jie; Zhang, Yi; Zhou, Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o348
• a: 7.613 ± 0.002 Å
• b: 5.7513 ± 0.0015 Å
• c: 31.085 ± 0.009 Å
• α: 90°
• β: 94.674 ± 0.004°
• γ: 90°
• Cell volume: 1356.5 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes