Information card for entry 7130897
| Formula |
C7 H11 F3 |
| Calculated formula |
C7 H11 F3 |
| 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 |
4.8224 ± 0.001 Å |
| b |
12.4436 ± 0.0019 Å |
| c |
12.24 ± 0.002 Å |
| α |
90° |
| β |
90.55 ± 0.02° |
| γ |
90° |
| Cell volume |
734.5 ± 0.2 Å3 |
| Cell temperature |
173 K |
| Ambient diffraction temperature |
173 K |
| Number of distinct elements |
3 |
| Space group number |
9 |
| Hermann-Mauguin space group symbol |
C 1 c 1 |
| Hall space group symbol |
C -2yc |
| Residual factor for all reflections |
0.1258 |
| Residual factor for significantly intense reflections |
0.1074 |
| Weighted residual factors for significantly intense reflections |
0.2769 |
| Weighted residual factors for all reflections included in the refinement |
0.2933 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.111 |
| Diffraction radiation probe |
x-ray |
| 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/7130897.html
