Information card for entry 8105290

Structure parameters

• Formula: C13 H15 Cl O2
• Calculated formula: C13 H15 Cl O2
• SMILES: C(=O)([C@H]1CC[C@@H](CC1)c1ccc(cc1)Cl)O
• Title of publication: The crystal structure of 4-(4-chlorophenyl)cyclohexane-1-carboxylic acid, C13H15ClO2
• Authors of publication: Du, Chao-Jun; Wang, Zong-Dong; Wang, Xiao-Ke; Zeng, Yan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 4
• Pages of publication: 797 - 799
• a: 14.4696 ± 0.0007 Å
• b: 9.5385 ± 0.0004 Å
• c: 18.7042 ± 0.0011 Å
• α: 90°
• β: 112.619 ± 0.002°
• γ: 90°
• Cell volume: 2383 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No