Information card for entry 4023347

Structure parameters

• Formula: C28 H24 O8 S
• Calculated formula: C28 H24 O8 S
• SMILES: S1[C@@H]([C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)C)COC(=O)c1ccccc1
• Title of publication: A Facile and Practical Synthesis of Peracylated 4-Thio-D-ribofuranoses from D-Glucose
• Authors of publication: Zhi-Hua Sun; Bing Wang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 2462 - 2465
• a: 11.4112 ± 0.0018 Å
• b: 8.6807 ± 0.0014 Å
• c: 13.502 ± 0.002 Å
• α: 90°
• β: 102.11 ± 0.002°
• γ: 90°
• Cell volume: 1307.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0582
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No