Information card for entry 2001264

Structure parameters

• Formula: C14 H18 O7 S
• Calculated formula: C14 H18 O7 S
• SMILES: C([C@@H]1[C@H]2[C@H](COCO2)OCO1)OS(=O)(=O)c1ccc(cc1)C.C([C@H]1[C@@H]2[C@@H](COCO2)OCO1)OS(=O)(=O)c1ccc(cc1)C
• Title of publication: 2,4:3,5-Di-<i>O</i>-méthylène-1-<i>p</i>-toluènesulfonylxylitol
• Authors of publication: Rodier, N.; Ronco, G.; Julien, R.; Postel, D.; Villa, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 2032 - 2033
• a: 19.466 ± 0.005 Å
• b: 9.554 ± 0.002 Å
• c: 18.936 ± 0.004 Å
• α: 90°
• β: 117.5 ± 0.02°
• γ: 90°
• Cell volume: 3123.8 ± 1.4 ų
• Cell temperature: 295 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.042
• Goodness-of-fit parameter for significantly intense reflections: 1.94
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKᾱ
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No