Information card for entry 7234746
| Formula |
C17 H12 F3 N O2 |
| Calculated formula |
C17 H12 F3 N O2 |
| Title of publication |
Amine-catalyzed and functional group-controlled chemo- and regioselective synthesis of multi-functionalized CF3-benzene via a metal-free process |
| Authors of publication |
Peng, Fu; Zhao, Qian; Huang, Wei; Liu, Shuai-Jiang; Zhong, Ya-Jun; Mao, Qing; Zhang, Nan; He, Gu; Han, Bo |
| Journal of publication |
Green Chemistry |
| Year of publication |
2019 |
| a |
7.9917 ± 0.0005 Å |
| b |
8.305 ± 0.0006 Å |
| c |
11.875 ± 0.0007 Å |
| α |
107.623 ± 0.006° |
| β |
97.098 ± 0.005° |
| γ |
91.682 ± 0.005° |
| Cell volume |
743.55 ± 0.09 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 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 |
0.0624 |
| Residual factor for significantly intense reflections |
0.057 |
| Weighted residual factors for significantly intense reflections |
0.1626 |
| Weighted residual factors for all reflections included in the refinement |
0.1702 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.038 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7234746.html
