Information card for entry 1567560
Formula |
C8 H5 F3 N2 O2 S |
Calculated formula |
C8 H5 F3 N2 O2 S |
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 |
10.81 ± 0.002 Å |
b |
5.693 ± 0.002 Å |
c |
16.013 ± 0.003 Å |
α |
90 ± 0.03° |
β |
93.45 ± 0.03° |
γ |
90 ± 0.03° |
Cell volume |
983.7 ± 0.4 Å3 |
Cell temperature |
193 K |
Ambient diffraction temperature |
193 K |
Number of distinct elements |
6 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0419 |
Residual factor for significantly intense reflections |
0.0364 |
Weighted residual factors for significantly intense reflections |
0.094 |
Weighted residual factors for all reflections included in the refinement |
0.0987 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.044 |
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/1567560.html