Information card for entry 1508375

Structure parameters

• Chemical name: 1,2:5,6-Di-O-isopropylidene-3-O-tosyl-α-D-glucofuranose
• Formula: C19 H26 O8 S
• Calculated formula: C19 H26 O8 S
• SMILES: O1[C@H]2[C@@H]([C@H]([C@H]1[C@H]1COC(O1)(C)C)OS(=O)(=O)c1ccc(cc1)C)OC(O2)(C)C
• Title of publication: The Molecular Structure of 1,2:5,6-Di-O-isopropylidene-3-O-toluenesulfonyl-α-D-glucofuranose
• Authors of publication: Mamat, Constantin; Peppel, Tim; Köckerling, Martin
• Journal of publication: Crystals
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 1
• Pages of publication: 105 - 109
• a: 9.7945 ± 0.0007 Å
• b: 10.1945 ± 0.0007 Å
• c: 21.306 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2127.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.066
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No