Information card for entry 4023346

Structure parameters

• Formula: C16 H18 O6
• Calculated formula: C16 H18 O6
• SMILES: O1[C@@H]([C@@H](OC(=O)c2ccccc2)[C@H]2OC(O[C@@H]12)(C)C)[C@H]1OC1
• 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: 5.7838 ± 0.001 Å
• b: 13.321 ± 0.002 Å
• c: 20.084 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1547.4 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.0458
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No