Information card for entry 7130898
Formula |
C8 H12 F3 N O |
Calculated formula |
C8 H12 F3 N O |
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 |
9.161 ± 0.002 Å |
b |
4.8349 ± 0.0008 Å |
c |
9.983 ± 0.003 Å |
α |
90° |
β |
105.3 ± 0.03° |
γ |
90° |
Cell volume |
426.5 ± 0.18 Å3 |
Cell temperature |
125 K |
Ambient diffraction temperature |
125 K |
Number of distinct elements |
5 |
Space group number |
4 |
Hermann-Mauguin space group symbol |
P 1 21 1 |
Hall space group symbol |
P 2yb |
Residual factor for all reflections |
0.2287 |
Residual factor for significantly intense reflections |
0.1848 |
Weighted residual factors for significantly intense reflections |
0.4092 |
Weighted residual factors for all reflections included in the refinement |
0.4428 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.442 |
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/7130898.html