Information card for entry 2218270

Structure parameters

• Chemical name: Methyl 3,4-<i>O</i>-isopropylidene-2-<i>O</i>-[(methylsulfanyl)thiocarbonyl]-\ β-L-arabinoside
• Formula: C11 H18 O5 S2
• Calculated formula: C11 H18 O5 S2
• SMILES: S=C(SC)O[C@H]1[C@H](OC[C@@H]2OC(O[C@H]12)(C)C)OC
• Title of publication: Methyl 3,4-<i>O</i>-isopropylidene-2-<i>O</i>-[(methylsulfanyl)thiocarbonyl]-β-<small>L</small>-arabinoside
• Authors of publication: Li, Hongqi; Song, Yanxi; Li, Xiumei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o933
• a: 9.1381 ± 0.0009 Å
• b: 11.2898 ± 0.0011 Å
• c: 13.9405 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1438.2 ± 0.2 ų
• Cell temperature: 293 ± 2 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: 0.0504
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes