Information card for entry 2215277

Structure parameters

• Chemical name: Phenyl 2,3,4-tri-<i>O</i>-acetyl-1-thio-α-L-rhamnopyranoside
• Formula: C18 H22 O7 S
• Calculated formula: C18 H22 O7 S
• SMILES: S([C@@H]1O[C@H]([C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]1OC(=O)C)C)c1ccccc1
• Title of publication: Phenyl 2,3,4-tri-<i>O</i>-acetyl-1-thio-α-<small>L</small>-rhamnopyranoside: a glycosyl donor
• Authors of publication: Yow-Fu Tsai; Jen-Ta Yang; Jhy-Der Chen; Chia-Her Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3772 - o3772
• a: 9.3919 ± 0.0011 Å
• b: 11.6665 ± 0.0013 Å
• c: 9.5762 ± 0.0009 Å
• α: 90°
• β: 108.336 ± 0.008°
• γ: 90°
• Cell volume: 996 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.043
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes