Information card for entry 7127222

Structure parameters

• Formula: C19 H25 N O6
• Calculated formula: C19 H25 N O6
• SMILES: O(C(=O)N1O[C@H]2O[C@@H](OC)[C@H]([C@H]2C1)CC(=O)c1ccccc1)C(C)(C)C
• Title of publication: Asymmetric organocatalytic multicomponent reactions for efficient construction of bicyclic compounds bearing bisacetal and isoxazolidine moieties.
• Authors of publication: Pei, Jun-Ping; Lv, Xue-Jiao; Peng, Chen-Jun; Liu, Yan-Kai
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 84
• Pages of publication: 12765 - 12768
• a: 10.9242 ± 0.0019 Å
• b: 7.1718 ± 0.0013 Å
• c: 12.651 ± 0.002 Å
• α: 90°
• β: 105.167 ± 0.003°
• γ: 90°
• Cell volume: 956.6 ± 0.3 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.056
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No