Information card for entry 4024043

Structure parameters

• Formula: C17 H21 N O8 S
• Calculated formula: C17 H21 N O8 S
• SMILES: C(S(=O)(=O)c1ccc(cc1)C)[C@H]1[C@H]2O[C@@H]3OC(O[C@@H]3[C@H]2O[C@@H]1N(=O)=O)(C)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: 10.843 Å
• b: 7.3 Å
• c: 11.813 Å
• α: 90°
• β: 90.36°
• γ: 90°
• Cell volume: 935 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.1623
• Weighted residual factors for all reflections included in the refinement: 0.1713
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No