Information card for entry 2238209

Structure parameters

• Common name: 1-<i>O</i>-Benzyl-2,3-<i>O</i>-isopropylidene-6-<i>O</i>-tosyl-α-L-sorbofuranose
• Chemical name: {(3a<i>S</i>,5<i>S</i>,6<i>R</i>,6a<i>S</i>)-3a-[(Benzyloxy)methyl]-6-hydroxy-2,2-dimethyltetrahydrofuro[2,3-<i>d</i>][1,3]dioxol-5-yl}methyl 4-methylbenzenesulfonate
• Formula: C23 H28 O8 S
• Calculated formula: C23 H28 O8 S
• SMILES: O[C@@H]1[C@H](COS(=O)(=O)c2ccc(cc2)C)O[C@@]2([C@H]1OC(O2)(C)C)COCc1ccccc1
• Title of publication: 1-<i>O</i>-Benzyl-2,3-<i>O</i>-isopropylidene-6-<i>O</i>-tosyl-α-<small>L</small>-sorbofuranose
• Authors of publication: Reed, John H.; Turner, Peter; Kato, Atsushi; Houston, Todd A.; Simone, Michela I.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1069 - o1070
• a: 22.6192 ± 0.0003 Å
• b: 5.5649 ± 0.0001 Å
• c: 19.0631 ± 0.0003 Å
• α: 90°
• β: 104.696 ± 0.002°
• γ: 90°
• Cell volume: 2321.04 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes