Information card for entry 8107061

Structure parameters

• Formula: C12 H15 Cl O3
• Calculated formula: C12 H15 Cl O3
• Title of publication: Crystal structure of (2-(2-chlorophenyl)-5-methyl-1,3-dioxan-5-yl)methanol, C12H15ClO3
• Authors of publication: Li, Zhong-Yan; Yuan, Lin; Zhang, Min; Yuan, Xian-You
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 957 - 958
• a: 10.0231 ± 0.0014 Å
• b: 10.7318 ± 0.0016 Å
• c: 11.2419 ± 0.0017 Å
• α: 90°
• β: 106.637 ± 0.007°
• γ: 90°
• Cell volume: 1158.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• 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: 0.1548
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.1879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No