Information card for entry 2006759

Structure parameters

• Chemical name: 1,2-O-isopropylidene-5-O-p-tosyl-α-D-xylofuranose
• Formula: C15 H20 O7 S
• Calculated formula: C15 H20 O7 S
• SMILES: S(=O)(=O)(OC[C@H]1O[C@@H]2OC(O[C@@H]2[C@H]1O)(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: 5.717 ± 0.01 Å
• b: 10.051 ± 0.013 Å
• c: 29.07 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1670 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.106
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections: 0.1484
• Weighted residual factors for significantly intense reflections: 0.1061
• Goodness-of-fit parameter for all reflections: 1.014
• Goodness-of-fit parameter for significantly intense reflections: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No