Information card for entry 4034037
| Formula |
C10 H9 Cl F N O2 |
| Calculated formula |
C10 H9 Cl F N O2 |
| SMILES |
Clc1ccc(NC(=O)C(F)C(=O)C)cc1 |
| Title of publication |
Chemoselective Mono- and Difluorination of 1,3-Dicarbonyl Compounds. |
| Authors of publication |
Tang, Lin; Yang, Zhen; Jiao, Jingchao; Cui, Ying; Zou, Guodong; Zhou, Qiuju; Zhou, Yuqiang; Rao, Weihao; Ma, Xiantao |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2019 |
| Journal volume |
84 |
| Journal issue |
16 |
| Pages of publication |
10449 - 10458 |
| a |
4.6067 ± 0.0006 Å |
| b |
9.4142 ± 0.0012 Å |
| c |
11.9555 ± 0.0015 Å |
| α |
84.496 ± 0.005° |
| β |
87.781 ± 0.005° |
| γ |
89.35 ± 0.005° |
| Cell volume |
515.7 ± 0.11 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0405 |
| Residual factor for significantly intense reflections |
0.0367 |
| Weighted residual factors for significantly intense reflections |
0.1058 |
| Weighted residual factors for all reflections included in the refinement |
0.1096 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.07 |
| 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/4034037.html
