Information card for entry 7157620

Structure parameters

• Formula: C20 H27 N7 O12
• Calculated formula: C20 H27 N7 O12
• SMILES: O([C@@H]1[C@@H](NC(=O)C)[C@@H](O[C@@](N=N#N)(C(=O)OC)[C@@H]1N=N#N)[C@H](OC(=O)C)[C@H](OC(=O)C)COC(=O)C)C(=O)C
• Title of publication: A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.
• Authors of publication: He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 31
• Pages of publication: 6155 - 6161
• a: 9.29096 ± 0.00014 Å
• b: 14.5006 ± 0.0002 Å
• c: 20.3184 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2737.39 ± 0.07 ų
• Cell temperature: 291.6 ± 0.2 K
• Ambient diffraction temperature: 291.6 ± 0.2 K
• Number of distinct elements: 4
• 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: 0.0574
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No