Information card for entry 1520345

Structure parameters

• Formula: C16 H22 O11
• Calculated formula: C16 H22 O11
• SMILES: [C@H]1([C@@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C
• Title of publication: Acetic acid 2,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-3-yl ester
• Authors of publication: Croft, Anna K.; Tizzard, Graham J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2009
• Pages of publication: 853
• a: 8.3288 ± 0.0002 Å
• b: 9.0098 ± 0.0003 Å
• c: 25.4028 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1906.25 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0532
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No