Information card for entry 4024045

Structure parameters

• Formula: C22 H26 O11 S
• Calculated formula: C22 H26 O11 S
• SMILES: O=S(=O)(C[C@@H]1[C@@]2(C(=O)O[C@H]1[C@H](OC)[C@@H](OC(=O)C)[C@H]2OC(=O)C)C(=O)OC)c1ccc(cc1)C
• 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: 9.341 Å
• b: 10.7 Å
• c: 12.856 Å
• α: 101.34°
• β: 93.88°
• γ: 90.82°
• Cell volume: 1256.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1079
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No