Information card for entry 2211269

Structure parameters

• Chemical name: 1,2-O-Isopropylidene-6-thio-α-D-glucofuranose
• Formula: C9 H16 O5 S
• Calculated formula: C9 H16 O5 S
• SMILES: SC[C@@H](O)[C@H]1O[C@@H]2OC(O[C@@H]2[C@H]1O)(C)C
• Title of publication: 1,2-<i>O</i>-Isopropylidene-6-thio-α-<small>D</small>-glucofuranose
• Authors of publication: Luboradzki, Roman; Pakulski, Zbigniew; Piekutowska, Marta
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5832 - o5833
• a: 9.1655 ± 0.0008 Å
• b: 5.8452 ± 0.0005 Å
• c: 10.5282 ± 0.0009 Å
• α: 90°
• β: 106.563 ± 0.004°
• γ: 90°
• Cell volume: 540.64 ± 0.08 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0658
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes