Information card for entry 2206444

Structure parameters

• Chemical name: 6-Acetoxymethyl-2-(2-methoxyphenoxy)tetrahydropyran-3,4,5-triyl triacetate
• Formula: C21 H26 O11
• Calculated formula: C21 H26 O11
• SMILES: O(C)c1ccccc1O[C@H]1O[C@H]([C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C)COC(=O)C
• Title of publication: 6-Acetoxymethyl-2-(2-methoxyphenoxy)tetrahydropyran-3,4,5-triyl triacetate
• Authors of publication: Zhou, Feng-Yan; Zhong, Jian-Hua
• Journal of publication: Acta Crystallographica, Section E: Structure Reports Online
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2701 - o2703
• a: 8.1321 ± 0.0002 Å
• b: 10.6922 ± 0.0003 Å
• c: 26.8033 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2330.55 ± 0.11 ų
• Cell temperature: 295 ± 1 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: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes