Information card for entry 2204783

Structure parameters

• Chemical name: p-tolyl 2,3-anhydro-5,6-O-isopropylidene-1-thio-β-D-talofuranoside
• Formula: C16 H20 O4 S
• Calculated formula: C16 H20 O4 S
• SMILES: S([C@@H]1O[C@H]([C@H]2O[C@@H]12)[C@@H]1OC(OC1)(C)C)c1ccc(cc1)C
• Title of publication: <i>p</i>-Tolyl 2,3-anhydro-5,6-<i>O</i>-isopropylidene-1-thio-β-<small>D</small>-gulofuranoside
• Authors of publication: Bai, Yu; Lowary, Todd L.; Ferguson, Michael J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2201 - o2203
• a: 9.1248 ± 0.0007 Å
• b: 12.0366 ± 0.001 Å
• c: 14.2666 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1566.9 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0414
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0795
• 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: Yes