Information card for entry 2213335

Structure parameters

• Chemical name: 1,3,4,6-Tetra-O-acetyl-2-O-methylsulfonyl-α-D-mannopyranoside
• Formula: C15 H22 O12 S
• Calculated formula: C15 H22 O12 S
• SMILES: S(=O)(=O)(O[C@H]1[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H](O[C@@H]1OC(=O)C)COC(=O)C)C
• Title of publication: (1<i>S</i>,3<i>R</i>,4<i>R</i>)-1,3,4,6-Tetra-<i>O</i>-acetyl-2-<i>O</i>-methylsulfonyl-α-<small>D</small>-mannopyranoside
• Authors of publication: Liu, Chun-Yan; An, Qi; Li, Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2293 - o2294
• a: 8.947 ± 0.002 Å
• b: 10.373 ± 0.003 Å
• c: 22.477 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2086 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.0706
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes