Information card for entry 8101680

Structure parameters

• Chemical name: 1,1,2,2-tetramethoxycarbonylethanol
• Formula: C10 H14 O9
• Calculated formula: C10 H14 O9
• SMILES: OC(C(=O)OC)(C(=O)OC)C(C(=O)OC)C(=O)OC
• Title of publication: Crystal structure of 1,1,2,2-tetramethoxycarbonylethanol, C~2~H(CH~3~OCO) ~4~OH
• Authors of publication: K. Peters; E.-M. Peters; U. Linker; T. Linker
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 1
• Pages of publication: 19 - 20
• a: 15.801 ± 0.001 Å
• b: 7.92 ± 0.001 Å
• c: 21.055 ± 0.002 Å
• α: 90°
• β: 101.31 ± 0.01°
• γ: 90°
• Cell volume: 2583.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No