Information card for entry 2213306

Structure parameters

• Chemical name: 3-Deoxy-1,2-<i>O</i>-isopropylidene-3-C-methyl-5-<i>O</i>-(<i>p</i>-\ tolylsulfonyl)-D-ribofuranose
• Formula: C16 H22 O6 S
• Calculated formula: C16 H22 O6 S
• SMILES: S(=O)(=O)(OC[C@H]1O[C@@H]2OC(O[C@@H]2[C@@H]1C)(C)C)c1ccc(cc1)C
• Title of publication: 3-Deoxy-1,2-<i>O</i>-isopropylidene-3-<i>C</i>-methyl-5-<i>O</i>-(<i>p</i>-tolylsulfonyl)-<small>D</small>-ribofuranose
• Authors of publication: Hector Novoa de Armas; Bogdan Doboszewski; Piet Herdewijn; Norbert Blaton
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2678 - o2680
• a: 7.7521 ± 0.0003 Å
• b: 11.6202 ± 0.0004 Å
• c: 19.0242 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1713.72 ± 0.13 ų
• Cell temperature: 293 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: 0.0373
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No