Information card for entry 7121953
| Formula |
C16 H12 Br F2 N O2 |
| Calculated formula |
C16 H12 Br F2 N O2 |
| Title of publication |
Fluorinated cyclopropanes: synthesis and chemistry of the aryl α,β,β-trifluorocyclopropane motif. |
| Authors of publication |
Thomson, Connor J.; Zhang, Qingzhi; Al-Maharik, Nawaf; Bühl, Michael; Cordes, David B.; Slawin, Alexandra M. Z.; O'Hagan, David |
| Journal of publication |
Chemical communications (Cambridge, England) |
| Year of publication |
2018 |
| Journal volume |
54 |
| Journal issue |
60 |
| Pages of publication |
8415 - 8418 |
| a |
4.7918 ± 0.0002 Å |
| b |
9.3365 ± 0.0006 Å |
| c |
33.8797 ± 0.0016 Å |
| α |
90° |
| β |
92.292 ± 0.005° |
| γ |
90° |
| Cell volume |
1514.52 ± 0.14 Å3 |
| Cell temperature |
173 K |
| Ambient diffraction temperature |
173 K |
| Number of distinct elements |
6 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/n 1 |
| Hall space group symbol |
-P 2yn |
| Residual factor for all reflections |
0.1149 |
| Residual factor for significantly intense reflections |
0.0758 |
| Weighted residual factors for significantly intense reflections |
0.1993 |
| Weighted residual factors for all reflections included in the refinement |
0.2133 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.128 |
| Diffraction radiation wavelength |
0.71075 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7121953.html
