Information card for entry 2217759

Structure parameters

• Chemical name: 2,3,4,6-Tetra-<i>O</i>-acetyl-1-<i>O</i>-(4-methoxycinnamoyl)-β-D-glucopyranose
• Formula: C24 H28 O12
• Calculated formula: C24 H28 O12
• SMILES: O=C(C)O[C@H]1[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H](O[C@@H]1OC(=O)/C=C/c1ccc(OC)cc1)COC(=O)C
• Title of publication: 2,3,4,6-Tetra-<i>O</i>-acetyl-1-<i>O</i>-(4-methoxycinnamoyl)-β-<small>D</small>-glucopyranose
• Authors of publication: Liu, Yuan-Yuan; Liu, Shan; Chu, Qing-Yan; Zhu, Hong-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o616
• a: 9.972 ± 0.002 Å
• b: 6.058 ± 0.0012 Å
• c: 21.68 ± 0.004 Å
• α: 90°
• β: 97.19 ± 0.03°
• γ: 90°
• Cell volume: 1299.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.118
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1629
• Weighted residual factors for all reflections included in the refinement: 0.1886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes