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Information card for entry 7114640
Preview
Coordinates | 7114640.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H19 N O5 |
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Calculated formula | C20 H19 N O5 |
SMILES | n1c(oc(c1)C[C@](O)(c1cccc(OC)c1)C(=O)OC)c1ccccc1 |
Title of publication | Catalytic hetero-ene reactions of 5-methyleneoxazolines: highly enantioselective synthesis of 2,5-disubstituted oxazole derivatives |
Authors of publication | Weiwei Luo; Jiannan Zhao; Chengkai Yin; Xiaohua Liu; Lili Lin; Xiaoming Feng |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 7524 |
a | 7.4062 ± 0.0014 Å |
b | 7.4146 ± 0.0014 Å |
c | 16.172 ± 0.003 Å |
α | 90° |
β | 91.997 ± 0.004° |
γ | 90° |
Cell volume | 887.5 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0667 |
Residual factor for significantly intense reflections | 0.0466 |
Weighted residual factors for significantly intense reflections | 0.0978 |
Weighted residual factors for all reflections included in the refinement | 0.1069 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.957 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7114640.html
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