Information card for entry 8105579

Structure parameters

• Formula: C10 H12 O5
• Calculated formula: C10 H12 O5
• Title of publication: Crystal structure of 2-(furan-2-yl)-5-methyl-1,3-dioxane-5-carboxylic acid, C10H12O5
• Authors of publication: Yuan, Lin; Yuan, Xian-You; Li, Zhong-Yan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 234
• Journal issue: 1
• Pages of publication: 177 - 178
• a: 5.6706 ± 0.0016 Å
• b: 32.091 ± 0.009 Å
• c: 6.5636 ± 0.0014 Å
• α: 90°
• β: 123.733 ± 0.017°
• γ: 90°
• Cell volume: 993.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 3
• 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: 0.0381
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No