Information card for entry 4127265

Structure parameters

• Formula: C14 H18 N2 O8 S
• Calculated formula: C14 H18 N2 O8 S
• SMILES: [C@H]1([C@@H]([C@@H](C)O[C@@H](C1)O)OC(=O)C)NS(=O)(=O)c1ccc(cc1)N(=O)=O
• 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: 7.6915 ± 0.0003 Å
• b: 13.4945 ± 0.0006 Å
• c: 16.2687 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1688.58 ± 0.12 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.0469
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No