Information card for entry 7130108
| Formula |
C16 H14 F3 N O5 |
| Calculated formula |
C16 H14 F3 N O5 |
| SMILES |
FC(F)(F)C1(OC(=CC(=N1)c1ccccc1)C(=O)OC)C(=O)OCC |
| Title of publication |
Copper-catalyzed [4 + 2] oxidative annulation of α,β-unsaturated ketoxime acetates with ethyl trifluoropyruvate |
| Authors of publication |
Yan, Huan; Xu, Gaochen; Gu, Meng; Zhang, Sai; Wu, Qinghuan; Meng, Jingjing; Zhu, Ning; Fang, Zheng; Duan, Jindian; Guo, Kai |
| Journal of publication |
Chemical Communications |
| Year of publication |
2022 |
| a |
12.9185 ± 0.0002 Å |
| b |
14.1732 ± 0.0002 Å |
| c |
14.4149 ± 0.0002 Å |
| α |
85.124 ± 0.001° |
| β |
79.583 ± 0.001° |
| γ |
67.967 ± 0.001° |
| Cell volume |
2405.81 ± 0.06 Å3 |
| Cell temperature |
173 ± 2 K |
| Ambient diffraction temperature |
172.99 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0367 |
| Residual factor for significantly intense reflections |
0.0345 |
| Weighted residual factors for significantly intense reflections |
0.0914 |
| Weighted residual factors for all reflections included in the refinement |
0.0935 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.026 |
| Diffraction radiation wavelength |
1.34139 Å |
| Diffraction radiation type |
GaKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7130108.html
