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Information card for entry 7117279
Preview
Coordinates | 7117279.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (R,E)-methyl 2-hydroxy-4-phenyl-2-((2-phenyloxazol-5-yl)methyl)but-3-enoate |
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Formula | C21 H19 N O4 |
Calculated formula | C21 H19 N O4 |
SMILES | O[C@@](/C=C/c1ccccc1)(Cc1oc(nc1)c1ccccc1)C(=O)OC |
Title of publication | A catalytic asymmetric carbonyl-ene reaction of beta,gamma-unsaturated alpha-ketoesters with 5-methyleneoxazolines |
Authors of publication | Weiwei Luo; Jiannan Zhao; Jie Ji; Lili Lin; Xiaohua Liu; Hongjiang Mei; Xiaoming Feng |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 10042 |
a | 9.7332 ± 0.0003 Å |
b | 12.3327 ± 0.0003 Å |
c | 15.1571 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1819.41 ± 0.09 Å3 |
Cell temperature | 115 ± 7 K |
Ambient diffraction temperature | 115 ± 7 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 | 0.0517 |
Residual factor for significantly intense reflections | 0.05 |
Weighted residual factors for significantly intense reflections | 0.1239 |
Weighted residual factors for all reflections included in the refinement | 0.1267 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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