Information card for entry 2006760

Structure parameters

• Chemical name: 1,2-O-isopropylidene-3,5-di-O-p-tosyl-α-D-xylofuranose
• Formula: C22 H26 O9 S2
• Calculated formula: C22 H26 O9 S2
• SMILES: S(=O)(=O)(OC[C@H]1O[C@@H]2OC(O[C@@H]2[C@H]1OS(=O)(=O)c1ccc(cc1)C)(C)C)c1ccc(cc1)C
• Title of publication: Two Tosylated 1,2-<i>O</i>-Isopropylidene-α-<small>D</small>-xylofuranoses
• Authors of publication: Philip J. Cox; R. Alan Howie; Helena Rufino; James L. Wardell
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1939 - 1941
• a: 6.391 ± 0.006 Å
• b: 13.795 ± 0.006 Å
• c: 13.967 ± 0.008 Å
• α: 90°
• β: 100.17 ± 0.06°
• γ: 90°
• Cell volume: 1212 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1396
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections: 0.1149
• Weighted residual factors for significantly intense reflections: 0.098
• Goodness-of-fit parameter for all reflections: 0.968
• Goodness-of-fit parameter for significantly intense reflections: 1.23
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No