Information card for entry 2207718
Chemical name |
2,2',5,5'-Tetrakis(trifluoromethyl)biphenyl |
Formula |
C16 H6 F12 |
Calculated formula |
C16 H6 F12 |
SMILES |
FC(c1ccc(cc1c1cc(ccc1C(F)(F)F)C(F)(F)F)C(F)(F)F)(F)F |
Title of publication |
2,2',5,5'-Tetrakis(trifluoromethyl)biphenyl |
Authors of publication |
Dillon, Keith B.; Zorina, Natalia V.; Yufit, Dmitry S.; Howard, Judith A. K. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
1 |
Pages of publication |
o104 - o106 |
a |
7.4296 ± 0.0002 Å |
b |
14.3048 ± 0.0004 Å |
c |
15.1315 ± 0.0004 Å |
α |
79.73 ± 0.01° |
β |
77.21 ± 0.01° |
γ |
76.39 ± 0.01° |
Cell volume |
1510.65 ± 0.11 Å3 |
Cell temperature |
120 ± 2 K |
Ambient diffraction temperature |
120 ± 2 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 |
0.0656 |
Residual factor for significantly intense reflections |
0.053 |
Weighted residual factors for significantly intense reflections |
0.1488 |
Weighted residual factors for all reflections included in the refinement |
0.1613 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.046 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
Yes |
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https://www.crystallography.net/2207718.html