Information card for entry 1502460

Structure parameters

• Formula: C22 H29 N O4
• Calculated formula: C22 H29 N O4
• SMILES: O(C(C)(C)C)C(=O)N1[C@@H](CO[C@@H]1Cc1cc2ccc(OC)cc2cc1)CC
• Title of publication: Stereoselective synthesis of substituted 1,3-oxazolidines via Pd-catalyzed carboamination reactions of O-vinyl-1,2-amino alcohols.
• Authors of publication: Ward, Amanda F.; Wolfe, John P.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 17
• Pages of publication: 4728 - 4731
• a: 9.2829 ± 0.0002 Å
• b: 5.7495 ± 0.0001 Å
• c: 38.036 ± 0.003 Å
• α: 90°
• β: 95.679 ± 0.007°
• γ: 90°
• Cell volume: 2020.09 ± 0.17 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 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: 0.0346
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No