Information card for entry 2225699

Structure parameters

• Chemical name: 6-Acetoxymethyl-3-[(2-hydroxy-3-methoxybenzylidene)amino]-3,4,5,6-tetrahydro- 2<i>H</i>-pyran-2,4,5-triyl triacetate
• Formula: C22 H27 N O11
• Calculated formula: C22 H27 N O11
• SMILES: N(=C\c1c(O)c(OC)ccc1)/[C@H]1[C@@H](O[C@@H]([C@@H](OC(=O)C)[C@@H]1OC(=O)C)COC(=O)C)OC(=O)C
• Title of publication: 6-Acetoxymethyl-3-[(2-hydroxy-3-methoxybenzylidene)amino]-3,4,5,6-tetrahydro-2<i>H</i>-pyran-2,4,5-triyl triacetate
• Authors of publication: Wang, Yan Fei; Zhang, Shu-Hua; Chen, Zhen Feng; Liang, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o990
• a: 10.806 ± 0.003 Å
• b: 11.151 ± 0.003 Å
• c: 20.243 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2439.2 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0823
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes