Information card for entry 4034929
| Formula |
C20 H19 F3 N2 O2 |
| Calculated formula |
C20 H19 F3 N2 O2 |
| SMILES |
FC(F)(F)CC1N(N=C(c2ccc(cc2)C)C1)C(=O)OCc1ccccc1 |
| Title of publication |
Synthesis of Trifluoroethyl Pyrazolines via Trichloroisocyanuric Acid Promoted Cascade Cyclization/Trifluoromethylation of β,γ-Unsaturated Hydrazones. |
| Authors of publication |
Chang, Bingbing; Su, Yingpeng; Huang, Danfeng; Wang, Ke-Hu; Zhang, Weigang; Shi, Ya; Zhang, Xinghu; Hu, Yulai |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2018 |
| Journal volume |
83 |
| Journal issue |
8 |
| Pages of publication |
4365 - 4374 |
| a |
7.839 ± 0.0012 Å |
| b |
10.1239 ± 0.001 Å |
| c |
13.0356 ± 0.0012 Å |
| α |
67.583 ± 0.009° |
| β |
83.056 ± 0.01° |
| γ |
72.226 ± 0.011° |
| Cell volume |
910.7 ± 0.2 Å3 |
| Cell temperature |
293.18 ± 0.11 K |
| Ambient diffraction temperature |
293.18 ± 0.11 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 |
0.123 |
| Residual factor for significantly intense reflections |
0.0714 |
| Weighted residual factors for significantly intense reflections |
0.1848 |
| Weighted residual factors for all reflections included in the refinement |
0.2015 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.884 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| 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/4034929.html
