Information card for entry 7130108
Formula |
C16 H14 F3 N O5 |
Calculated formula |
C16 H14 F3 N O5 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/7130108.html