Information card for entry 2221948

Structure parameters

• Chemical name: 4-Formylphenyl 2,3,4,6-tetra-<i>O</i>-acetyl-β-D-allopyranoside
• Formula: C21 H24 O11
• Calculated formula: C21 H24 O11
• SMILES: O1[C@@H](Oc2ccc(cc2)C=O)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1COC(=O)C
• Title of publication: 4-Formylphenyl 2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-allopyranoside
• Authors of publication: Ye, Ding; Zhang, Kuan; Chen, Hua-feng; Yin, Shu-fan; Li, Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1338
• a: 7.056 ± 0.004 Å
• b: 17.758 ± 0.006 Å
• c: 9.129 ± 0.003 Å
• α: 90°
• β: 102.8 ± 0.04°
• γ: 90°
• Cell volume: 1115.4 ± 0.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.1196
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes