Information card for entry 2209063

Structure parameters

• Chemical name: 4-Methoxyphenyl 2,3,4,6-Tetra-O-acetyl-β-D-galactopyranoside
• Formula: C21 H26 O11
• Calculated formula: C21 H26 O11
• SMILES: O1[C@H](Oc2ccc(OC)cc2)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@H]1COC(=O)C
• Title of publication: 4-Methoxyphenyl 2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-galactopyranoside
• Authors of publication: Yan Zhang; Gui-Long Zhao; Jiong Jia; Jian-Wu Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2487 - o2489
• a: 11.935 ± 0.003 Å
• b: 5.7061 ± 0.0014 Å
• c: 17.873 ± 0.004 Å
• α: 90°
• β: 108.884 ± 0.003°
• γ: 90°
• Cell volume: 1151.7 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0557
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes