Information card for entry 4023434

Structure parameters

• Formula: C11 H18 O7 S
• Calculated formula: C11 H18 O7 S
• SMILES: [C@H]12OCC[C@]1(O[C@H]1[C@@H]2OC(C)(C)O1)COS(=O)(=O)C
• Title of publication: Introduction of Vinyl and Hydroxymethyl Functionalities at C-4 of Glucose-Derived Substrates: Synthesis of Spirocyclic, Bicyclic, and Tricyclic Nucleosides
• Authors of publication: Joy Krishna Maity; Ramprasad Ghosh; Michael G. B. Drew; Basudeb Achari; Sukhendu B. Mandal
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 4305 - 4308
• a: 5.5368 ± 0.0004 Å
• b: 14.889 ± 0.004 Å
• c: 15.8296 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1304.9 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0319
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No