Information card for entry 8104674

Structure parameters

• Chemical name: (2-(4-chlorophenyl)-5-methyl-1,3-dioxan-5-yl)methanol
• Formula: C12 H15 Cl O3
• Calculated formula: C12 H15 Cl O3
• Title of publication: The crystal structure of (2-(4-chlorophenyl)-5-methyl-1,3-dioxan-5-yl)methanol, C12H15ClO3
• Authors of publication: Zou, Long-Sheng; Li, Zhong-Yan; Yuan, Lin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 5
• Pages of publication: 1091 - 1092
• a: 5.788 ± 0.002 Å
• b: 11.079 ± 0.004 Å
• c: 18.916 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1213 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.172
• Weighted residual factors for all reflections included in the refinement: 0.1898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No