Information card for entry 8102499

Structure parameters

• Chemical name: Ethyl 2,3,4-tri-O-acetyl-1-thio-β-L-rhamnopyranoside
• Formula: C14 H22 O7 S
• Calculated formula: C14 H22 O7 S
• SMILES: S([C@H]1O[C@H]([C@H](OC(=O)C)[C@H]([C@H]1OC(=O)C)OC(=O)C)C)CC
• Title of publication: Crystal structure of ethyl 2,3,4-tri-O-acetyl-1-thio-b-L-rhamnopyranoside, C14H22O7S
• Authors of publication: Wolfgang Frey; Sascha Wilhelm Schäfer; Jörg Pietruszka
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 553
• a: 8.7728 ± 0.0011 Å
• b: 11.9 ± 0.0014 Å
• c: 16.6878 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1742.1 ± 0.4 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: 0.0961
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No