Information card for entry 2219086

Structure parameters

• Chemical name: 4-Methoxyphenyl 2,3,4,6-tetra-<i>O</i>-acetyl-1-thio-α-D-mannopyranoside
• Formula: C21 H26 O10 S
• Calculated formula: C21 H26 O10 S
• SMILES: [C@H]1([C@H]([C@H]([C@@H]([C@@H](COC(=O)C)O1)OC(=O)C)OC(=O)C)OC(=O)C)Sc1ccc(cc1)OC
• Title of publication: 4-Methoxyphenyl 2,3,4,6-tetra-<i>O</i>-acetyl-1-thio-α-<small>D</small>-mannopyranoside
• Authors of publication: Drouin, Ludovic; Cowley, Andrew R.; Fairbanks, Antony J.; Thompson, Amber L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1401
• a: 8.6218 ± 0.0002 Å
• b: 15.2945 ± 0.0003 Å
• c: 17.5449 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2313.58 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• 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: 0.0443
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for all reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0362
• Weighted residual factors for all reflections included in the refinement: 0.0345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0656
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes