Information card for entry 7122077
| Chemical name |
ethyl 2,2-difluoro-2-(2-methoxy-4-(pyrimidin-2-ylamino)phenyl)acetate |
| Formula |
C15 H15 F2 N3 O3 |
| Calculated formula |
C15 H15 F2 N3 O3 |
| Title of publication |
Ruthenium(ii)-catalyzed selective C-H difluoroalkylation of aniline derivatives with pyrimidyl auxiliaries. |
| Authors of publication |
Wang, Xin-Gang; Li, Yuke; Zhang, Lu-Lu; Zhang, Bo-Sheng; Wang, Qiang; Ma, Jun-Wei; Liang, Yong-Min |
| Journal of publication |
Chemical communications (Cambridge, England) |
| Year of publication |
2018 |
| Journal volume |
54 |
| Journal issue |
68 |
| Pages of publication |
9541 - 9544 |
| a |
12.5999 ± 0.0008 Å |
| b |
12.8512 ± 0.0007 Å |
| c |
13.5479 ± 0.0009 Å |
| α |
63.165 ± 0.006° |
| β |
62.666 ± 0.007° |
| γ |
64.519 ± 0.006° |
| Cell volume |
1668.7 ± 0.2 Å3 |
| Cell temperature |
289.7 ± 0.5 K |
| Ambient diffraction temperature |
289.7 ± 0.5 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 |
0.099 |
| Residual factor for significantly intense reflections |
0.0789 |
| Weighted residual factors for significantly intense reflections |
0.25 |
| Weighted residual factors for all reflections included in the refinement |
0.3102 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.169 |
| 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/7122077.html
