Information card for entry 7157850

Structure parameters

• Formula: C14 H15 N O7
• Calculated formula: C14 H15 N O7
• SMILES: O1[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)N=C1c1cc2OCOc2cc1
• Title of publication: One step stereoselective synthesis of oxazoline-fused saccharides and their conversion into the corresponding 1,2-<i>cis</i> glycosylamines bearing various protected groups.
• Authors of publication: Dong, Sanfeng; Zhao, Yitian; Shi, Yulong; Xu, Zhijian; Shen, Jingshan; Jia, Qi; Li, Yiming; Chen, Kaixian; Li, Bo; Zhu, Weiliang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 7
• Pages of publication: 1580 - 1588
• a: 4.7659 ± 0.0003 Å
• b: 12.6787 ± 0.0007 Å
• c: 11.0168 ± 0.0006 Å
• α: 90°
• β: 95.803 ± 0.002°
• γ: 90°
• Cell volume: 662.28 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No