Information card for entry 8106763

Structure parameters

• Formula: C16 H19 Cl O6
• Calculated formula: C16 H19 Cl O6
• Title of publication: Crystal structure of diethyl 2-(4-chlorophenyl)-1,3-dioxane-5,5-dicarboxylate, C16H19ClO6
• Authors of publication: Yuan, Xian-You; Zhang, Min; Yuan, Lin; Li, Zhong-Yan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 6
• Pages of publication: 1041 - 1042
• a: 7.905 ± 0.003 Å
• b: 9.194 ± 0.004 Å
• c: 13.094 ± 0.005 Å
• α: 99.928 ± 0.004°
• β: 105.341 ± 0.004°
• γ: 109.283 ± 0.004°
• Cell volume: 830.2 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0898
• 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: No