Information card for entry 1502459

Structure parameters

• Formula: C27 H29 N O3
• Calculated formula: C27 H29 N O3
• SMILES: N1(C(=O)OC(C)(C)C)C[C@@H](O[C@@H]1Cc1ccc(cc1)c1ccccc1)c1ccccc1.N1(C(=O)OC(C)(C)C)C[C@H](O[C@H]1Cc1ccc(cc1)c1ccccc1)c1ccccc1
• 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: 27.1086 ± 0.0004 Å
• b: 5.9741 ± 0.0001 Å
• c: 29.628 ± 0.002 Å
• α: 90°
• β: 113.48 ± 0.008°
• γ: 90°
• Cell volume: 4400.9 ± 0.4 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.175
• Weighted residual factors for all reflections included in the refinement: 0.1983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No