Information card for entry 4024042

Structure parameters

• Formula: C20 H28 O8 S
• Calculated formula: C20 H28 O8 S
• SMILES: S(=O)(=O)(c1ccc(cc1)C)C[C@@H]([C@H]1O[C@@H]2OC(O[C@@H]2[C@H]1OC)(C)C)CC(=O)OC
• Title of publication: Diastereoselective C-C Bond Formation at C-5 of Vinyl Sulfone-Modified Hex-5-enofuranosyl Carbohydrates: Diversity-Oriented Synthesis of Branched-Chain Sugars and Beyond
• Authors of publication: Indrajit Das; Tarun K. Pal; Cheravakkattu G. Suresh; Tanmaya Pathak
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 5523 - 5533
• a: 11.111 Å
• b: 13.059 Å
• c: 15.198 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2205.1 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: 0.0923
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1842
• Goodness-of-fit parameter for all reflections included in the refinement: 0.756
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No