Information card for entry 7155080

Structure parameters

• Formula: C14 H19 N O6
• Calculated formula: C14 H19 N O6
• SMILES: O[C@H]1[C@H](N(C[C@H]1O)C(=O)OCc1ccccc1)[C@H](O)CO
• Title of publication: Epimerization of C5 of an N-hydroxypyrrolidine in the synthesis of swainsonine related iminosugars.
• Authors of publication: Qian, Bao-Chen; Kamori, Akiko; Kinami, Kyoko; Kato, Atsushi; Li, Yi-Xian; Fleet, George W. J.; Yu, Chu-Yi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 19
• Pages of publication: 4488 - 4498
• a: 5.6525 ± 0.0014 Å
• b: 7.679 ± 0.002 Å
• c: 32.488 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1410.2 ± 0.6 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 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: 0.035
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No