Information card for entry 7130896
| Formula |
C6 H9 F3 |
| Calculated formula |
C6 H9 F3 |
| SMILES |
FC1CC(F)CC(F)C1 |
| Title of publication |
Unexpected triaxial preferences in some all-syn 1,3,5-trifluorocyclohexanes |
| Authors of publication |
O'Hagan, David; Yu, Cihang; Cormanich, Rodrigo A.; Slawin, Alexandra; Cordes, David Bradford; Piscelli, Bruno A.; Al-Maharik, Nawaf |
| Journal of publication |
Chemical Communications |
| Year of publication |
2022 |
| a |
4.7654 ± 0.0003 Å |
| b |
6.2994 ± 0.0004 Å |
| c |
10.5867 ± 0.0006 Å |
| α |
89.429 ± 0.005° |
| β |
89.677 ± 0.005° |
| γ |
73.64 ± 0.006° |
| Cell volume |
304.92 ± 0.03 Å3 |
| Cell temperature |
173 K |
| Ambient diffraction temperature |
173 K |
| Number of distinct elements |
3 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0493 |
| Residual factor for significantly intense reflections |
0.044 |
| Weighted residual factors for significantly intense reflections |
0.1178 |
| Weighted residual factors for all reflections included in the refinement |
0.1231 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.092 |
| 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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https://www.crystallography.net/7130896.html
