Information card for entry 2232237

Structure parameters

• Chemical name: Phenyl 4,6-di-<i>O</i>-acetyl-2,3-dideoxy-1-thio-α-D-<i>erythro</i>-hex-2-\ enopyranoside
• Formula: C16 H18 O5 S
• Calculated formula: C16 H18 O5 S
• SMILES: S([C@H]1O[C@@H]([C@@H](OC(=O)C)C=C1)COC(=O)C)c1ccccc1
• Title of publication: Phenyl 4,6-di-<i>O</i>-acetyl-2,3-dideoxy-1-thio-α-<small>D</small>-<i>erythro</i>-hex-2-enopyranoside
• Authors of publication: Kinfe, Henok H.; Mebrahtu, Fanuel M.; Muller, Alfred
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2840 - o2841
• a: 5.233 ± 0.0004 Å
• b: 13.47 ± 0.001 Å
• c: 11.176 ± 0.0009 Å
• α: 90°
• β: 97.291 ± 0.002°
• γ: 90°
• Cell volume: 781.41 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0253
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes