Information card for entry 1567559
| Formula |
C18 H11 F3 N2 |
| Calculated formula |
C18 H11 F3 N2 |
| SMILES |
FC(F)(F)Cc1ccnc2c1ccc(c2)c1ccc(cc1)C#N |
| Title of publication |
A photoinduced transient activating strategy for late-stage chemoselective C(sp3)–H trifluoromethylation of azines |
| Authors of publication |
Huang, Mengjun; Ma, Jiawei; Zou, Zhenlei; Li, Heyin; Liu, Jiyang; Kong, Lingyu; Pan, Yi; Zhang, Weigang; Liang, Yong; Wang, Yi |
| Journal of publication |
Chemical Science |
| Year of publication |
2022 |
| a |
11.3732 ± 0.0004 Å |
| b |
7.0194 ± 0.0003 Å |
| c |
17.8991 ± 0.0006 Å |
| α |
90° |
| β |
100.777 ± 0.001° |
| γ |
90° |
| Cell volume |
1403.74 ± 0.09 Å3 |
| Cell temperature |
193 K |
| Ambient diffraction temperature |
193 K |
| Number of distinct elements |
4 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/n 1 |
| Hall space group symbol |
-P 2yn |
| Residual factor for all reflections |
0.0464 |
| Residual factor for significantly intense reflections |
0.0381 |
| Weighted residual factors for significantly intense reflections |
0.0969 |
| Weighted residual factors for all reflections included in the refinement |
0.1029 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.068 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/1567559.html
