Information card for entry 2204035

Structure parameters

• Chemical name: 1.2.5.6-Di-O-isopropylidene-3-O-methylsulfonyl-α-D-glucofuranose
• Formula: C13 H22 O8 S
• Calculated formula: C13 H22 O8 S
• SMILES: [C@H]1([C@@H]([C@@H]2[C@@H](OC(C)(C)O2)O1)OS(=O)(=O)C)[C@H]1COC(C)(C)O1
• Title of publication: 1.2.5.6-Di-O-isopropylidene-3-O-methylsulfonyl- α-D-glucofuranose
• Authors of publication: Ziemer, Burkhard; Mahrwald, Rainer
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: o1342 - o1343
• a: 8.866 ± 0.003 Å
• b: 9.2962 ± 0.0016 Å
• c: 19.361 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1595.8 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0491
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No