Information card for entry 1551665

Structure parameters

• Formula: C14 H20 O10
• Calculated formula: C14 H20 O10
• SMILES: O([C@@H]1[C@](OC[C@@H](OC(=O)C)[C@@H]1OC(=O)C)(O)COC(=O)C)C(=O)C
• Title of publication: Crystal Structure of 1,3,4,5-Tetra-O-acetyl-^|^alpha;-D-tagatopyranose
• Authors of publication: MIURA, Daisuke; FUJIMOTO, Takashi; TASHIRO, Mitsuru; MACHINAMI, Tomoya
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2014
• Journal volume: 30
• Journal issue: 0
• Pages of publication: 3
• a: 7.9393 ± 0.0012 Å
• b: 13.469 ± 0.003 Å
• c: 15.825 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1692.2 ± 0.6 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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 significantly intense reflections: 0.0313
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No