Information card for entry 8102498

Structure parameters

• Chemical name: Ethyl 2,3,4,6-tetra-O-acetyl-1-thio-α-D-mannopyranoside
• Formula: C16 H24 O9 S
• Calculated formula: C16 H24 O9 S
• SMILES: S([C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)CC
• Title of publication: Crystal structure of ethyl 2,3,4,6-tetra-O-acetyl-1-thio-a-D-mannopyranoside, C16H24O9S
• 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: 551
• a: 9.1876 ± 0.0016 Å
• b: 9.2514 ± 0.0015 Å
• c: 23.697 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2014.2 ± 0.5 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: 0.1023
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1451
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No