Information card for entry 4128759

Structure parameters

• Formula: C27 H36 N4 O13 S2
• Calculated formula: C27 H36 N4 O13 S2
• SMILES: S(=O)(=O)(N(C)[C@H]1[C@@H](O)[C@@H](O[C@@H](O[C@H]2[C@@H](O[C@@H](OC)C[C@]2(NS(=O)(=O)c2ccc(N(=O)=O)cc2)C)C)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: 7.62899 ± 0.00005 Å
• b: 8.62984 ± 0.00004 Å
• c: 47.2575 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3111.29 ± 0.03 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: 0.0218
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No