Information card for entry 4037847
| Formula |
C22 H16 F3 N O3 |
| Calculated formula |
C22 H16 F3 N O3 |
| SMILES |
FC(F)(F)c1nc(cc(c1C(=O)c1ccccc1)C(=O)OCC)c1ccccc1 |
| Title of publication |
Copper-Catalyzed N-O Cleavage of α,β-Unsaturated Ketoxime Acetates toward Structurally Diverse Pyridines. |
| Authors of publication |
Zhang, Lei; Duan, Jindian; Xu, Gaochen; Ding, Xiaojuan; Mao, Yiyang; Rong, Binsen; Zhu, Ning; Fang, Zheng; Li, Zhenjiang; Guo, Kai |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2020 |
| a |
9.8831 ± 0.0013 Å |
| b |
10.2552 ± 0.0013 Å |
| c |
10.8546 ± 0.0013 Å |
| α |
102.129 ± 0.008° |
| β |
99.415 ± 0.009° |
| γ |
118.029 ± 0.008° |
| Cell volume |
904.5 ± 0.2 Å3 |
| Cell temperature |
111 ± 2 K |
| Ambient diffraction temperature |
111.08 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 |
0.1004 |
| Residual factor for significantly intense reflections |
0.0759 |
| Weighted residual factors for significantly intense reflections |
0.2165 |
| Weighted residual factors for all reflections included in the refinement |
0.2401 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.102 |
| Diffraction radiation wavelength |
1.34139 Å |
| Diffraction radiation type |
GaKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/4037847.html
