Information card for entry 7123005
| Formula |
C26 H15 F6 N2 O6 |
| Calculated formula |
C26 H15 F6 N2 O6 |
| Title of publication |
Diastereoselective synthesis of cyclopropanes bearing trifluoromethyl-substituted all-carbon quaternary centers from 2-trifluoromethyl-1,3-enynes beyond fluorine elimination |
| Authors of publication |
Chen, Shujie; Zhang, Jinhui; Yang, Mingfeng; Liu, Fenggang; Xie, Zhipeng; Liu, Yun-Lin; Lin, Wenxia; Wang, Daru; Li, Xiangrui; Wang, Jiahai |
| Journal of publication |
Chemical Communications |
| Year of publication |
2019 |
| a |
8.9228 ± 0.0005 Å |
| b |
11.3001 ± 0.0006 Å |
| c |
12.7722 ± 0.0008 Å |
| α |
90.744 ± 0.002° |
| β |
103.423 ± 0.002° |
| γ |
93.886 ± 0.002° |
| Cell volume |
1249.2 ± 0.12 Å3 |
| Cell temperature |
193 ± 2 K |
| Ambient diffraction temperature |
193 ± 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 |
0.0888 |
| Residual factor for significantly intense reflections |
0.083 |
| Weighted residual factors for significantly intense reflections |
0.2339 |
| Weighted residual factors for all reflections included in the refinement |
0.2459 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.038 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7123005.html
