Information card for entry 2001969
Formula |
C9 H6 F12 O3 |
Calculated formula |
C9 H6 F12 O3 |
SMILES |
O=C(CC(C(F)(F)F)(C(F)(F)F)O)CC(C(F)(F)F)(C(F)(F)F)O |
Title of publication |
Structure of 1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-4-heptanone |
Authors of publication |
Vittal, J. J.; Willis, C. J. |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
1993 |
Journal volume |
49 |
Journal issue |
2 |
Pages of publication |
310 - 313 |
a |
11.724 ± 0.001 Å |
b |
10.265 ± 0.001 Å |
c |
11.35 ± 0.002 Å |
α |
90° |
β |
99.39 ± 0.01° |
γ |
90° |
Cell volume |
1347.6 ± 0.3 Å3 |
Number of distinct elements |
4 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Diffraction radiation wavelength |
1.54184 Å |
Diffraction radiation type |
Cu |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/2001969.html