Information card for entry 4036896
| Formula |
C16 H12 Cl F3 |
| Calculated formula |
C16 H12 Cl F3 |
| SMILES |
Clc1ccc(/C=C(C(F)(F)F)\c2ccc(cc2)C)cc1 |
| Title of publication |
Synthesis of (Z)-α-Trifluoromethyl Alkenyl Triflate: A Scaffold for Diverse Trifluoromethylated Species. |
| Authors of publication |
Zhao, Yilong; Zhou, Yuhan; Liu, Juan; Yang, Dongmei; Tao, Liang; Liu, Yang; Dong, Xiaoliang; Liu, Jianhui; Qu, Jingping |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2016 |
| Journal volume |
81 |
| Journal issue |
11 |
| Pages of publication |
4797 - 4806 |
| a |
5.892 ± 0.005 Å |
| b |
11.809 ± 0.01 Å |
| c |
20.667 ± 0.018 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
1438 ± 2 Å3 |
| Cell temperature |
300 ± 2 K |
| Ambient diffraction temperature |
300 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
19 |
| Hermann-Mauguin space group symbol |
P 21 21 21 |
| Hall space group symbol |
P 2ac 2ab |
| Residual factor for all reflections |
0.095 |
| Residual factor for significantly intense reflections |
0.0549 |
| Weighted residual factors for significantly intense reflections |
0.1386 |
| Weighted residual factors for all reflections included in the refinement |
0.1527 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.002 |
| 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/4036896.html
