Information card for entry 2237457

Structure parameters

• Chemical name: (4-Methoxyphenyl)(4-propylcyclohexyl)methanone
• Formula: C17 H24 O2
• Calculated formula: C17 H24 O2
• SMILES: O=C(c1ccc(OC)cc1)C1CCC(CC1)CCC
• Title of publication: (4-Methoxyphenyl)(4-propylcyclohexyl)methanone
• Authors of publication: Wang, Ling; Chang, Zi-Qian; Zhang, Jie; Li, Cheng-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o404
• a: 5.679 ± 0.001 Å
• b: 7.326 ± 0.0012 Å
• c: 35.02 ± 0.004 Å
• α: 93.74 ± 0.01°
• β: 91.877 ± 0.006°
• γ: 94.436 ± 0.001°
• Cell volume: 1448.5 ± 0.4 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: 0.0566
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes