Information card for entry 2229629

Structure parameters

• Chemical name: 4-Formylphenyl 2,3,4,6-tetra-<i>O</i>-acetyl-β-D-glucopyranoside
• Formula: C21 H24 O11
• Calculated formula: C21 H24 O11
• SMILES: O1[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1Oc1ccc(cc1)C=O)COC(=O)C
• Title of publication: 4-Formylphenyl 2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside
• Authors of publication: Heidelberg, Thorsten; Hussen, Rusnah Syahila Duali; Rodzi, Nasrul Zamani Mohd; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o825
• a: 5.7868 ± 0.0002 Å
• b: 8.9166 ± 0.0003 Å
• c: 11.4716 ± 0.0003 Å
• α: 102.473 ± 0.003°
• β: 93.481 ± 0.002°
• γ: 102.78 ± 0.003°
• Cell volume: 559.96 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes