Information card for entry 4128760

Structure parameters

• Formula: C27 H33 N4 O13 S2
• Calculated formula: C27 H33 N4 O13 S2
• SMILES: S(=O)(=O)(N[C@]1(C)C[C@H](OC)O[C@@H](C)[C@@H]1O[C@H]1O[C@@H](C)[C@H](O)[C@](NS(=O)(=O)c2ccc(N(=O)=O)cc2)(C1)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: 7.6865 ± 0.0003 Å
• b: 29.0486 ± 0.0011 Å
• c: 8.7393 ± 0.0004 Å
• α: 90°
• β: 111.856 ± 0.001°
• γ: 90°
• Cell volume: 1811.07 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 297.7 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: 0.1236
• Residual factor for significantly intense reflections: 0.1164
• Weighted residual factors for significantly intense reflections: 0.3172
• Weighted residual factors for all reflections included in the refinement: 0.3235
• Goodness-of-fit parameter for all reflections included in the refinement: 2.6665
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No