Information card for entry 7130899
Formula |
C11 H19 F2 N O2 |
Calculated formula |
C11 H19 F2 N O2 |
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 |
21.5717 ± 0.0006 Å |
b |
6.405 ± 0.0001 Å |
c |
18.7016 ± 0.0004 Å |
α |
90° |
β |
106.865 ± 0.003° |
γ |
90° |
Cell volume |
2472.81 ± 0.1 Å3 |
Cell temperature |
173 K |
Ambient diffraction temperature |
173 K |
Number of distinct elements |
5 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.1223 |
Residual factor for significantly intense reflections |
0.0911 |
Weighted residual factors for significantly intense reflections |
0.1943 |
Weighted residual factors for all reflections included in the refinement |
0.2053 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.192 |
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/7130899.html