Information card for entry 2205485

Structure parameters

• Chemical name: Diacetyltartaric acid anhydride
• Formula: C8 H8 O7
• Calculated formula: C8 H8 O7
• SMILES: O1C(=O)[C@H](OC(=O)C)[C@@H](OC(=O)C)C1=O
• Title of publication: (2<i>R</i>,3<i>R</i>)-Diacetyltartaric acid anhydride
• Authors of publication: Zhao-Bin Qi; Ming-Jie Zhang; Dong-Yan Yuan; Shan-Shan Ma; Xiang-Qian Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o1085 - o1086
• a: 5.4066 ± 0.0007 Å
• b: 10.3363 ± 0.0014 Å
• c: 17.434 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 974.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0454
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes