Information card for entry 2211970

Structure parameters

• Common name: 3-Formylphenyl-2,3,4,6-tetra-<i>O</i>-acetyl-α-D-glucopyranoside
• Chemical name: 3-Formylphenyl-2,3,4,6-tetra-O-acetyl-α-D-glucopyranoside
• Formula: C21 H24 O11
• Calculated formula: C21 H24 O11
• SMILES: O([C@H]1O[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C)COC(=O)C)c1cccc(c1)C=O
• Title of publication: 3-Formylphenyl-2,3,4,6-tetra-<i>O</i>-acetyl-α-<small>D</small>-glucopyranoside
• Authors of publication: Burkhardt, Anja; Buchholz, Axel; Görls, Helmar; Plass, Winfried
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o384 - o386
• a: 5.5451 ± 0.0002 Å
• b: 14.5307 ± 0.0005 Å
• c: 26.7501 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2155.37 ± 0.12 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 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 all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes