Information card for entry 4128758

Structure parameters

• Formula: C43 H50 N2 O13 S
• Calculated formula: C43 H50 N2 O13 S
• SMILES: S(=O)(=O)(N([C@H]1[C@@H](OC(=O)C)[C@@H](O[C@H](O[C@@H]2[C@H](O[C@H](OC)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)COCc2ccccc2)C1)C)C)c1ccc(N(=O)=O)cc1
• Title of publication: Hydrogen-Bonding-Assisted Exogenous Nucleophilic Reagent Effect for β-Selective Glycosylation of Rare 3-Amino Sugars.
• Authors of publication: Zeng, Jing; Wang, Ruobin; Zhang, Shuxin; Fang, Jing; Liu, Shanshan; Sun, Guangfei; Xu, Bingbing; Xiao, Ying; Fu, Dengxian; Zhang, Wenqi; Hu, Yixin; Wan, Qian
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 21
• Pages of publication: 8509 - 8515
• a: 5.89374 ± 0.00002 Å
• b: 26.1462 ± 0.00008 Å
• c: 26.91187 ± 0.00008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4147.09 ± 0.02 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0254
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No