Information card for entry 2228529

Structure parameters

• Chemical name: 2,3:4,5-Di-<i>O</i>-isopropylidenefructos-1-yl <i>p</i>-toluenesulfonate
• Formula: C19 H26 O8 S
• Calculated formula: C19 H26 O8 S
• SMILES: Cc1ccc(cc1)S(=O)(=O)OC[C@]12OC[C@@H]3[C@H]([C@@H]2OC(O1)(C)C)OC(O3)(C)C
• Title of publication: 2,3:4,5-Di-<i>O</i>-isopropylidenefructos-1-yl <i>p</i>-toluenesulfonate
• Authors of publication: Huo, Shiyong; Li, Yueqing; Liang, Chaoyan; Liu, Jihong; Zhao, Weijie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3097
• a: 13.87 ± 0.005 Å
• b: 10.153 ± 0.004 Å
• c: 15.715 ± 0.006 Å
• α: 90°
• β: 106.831 ± 0.004°
• γ: 90°
• Cell volume: 2118.2 ± 1.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0427
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes