Information card for entry 4037111

Structure parameters

• Formula: C16 H19 N O6
• Calculated formula: C16 H19 N O6
• SMILES: O1[C@H](CO)[C@H]2ON([C@@H]([C@H]2C1=O)C(=O)OCC)Cc1ccccc1
• Title of publication: Exploring the Chemistry of Bicyclic Isoxazolidines for the Multicomponent Synthesis of Glycomimetic Building Blocks.
• Authors of publication: Hoogenboom, Jorin; Lutz, Martin; Zuilhof, Han; Wennekes, Tom
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 19
• Pages of publication: 8826 - 8836
• a: 9.8175 ± 0.0005 Å
• b: 5.365 ± 0.0003 Å
• c: 14.4448 ± 0.0006 Å
• α: 90°
• β: 97.206 ± 0.003°
• γ: 90°
• Cell volume: 754.81 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0485
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No