Information card for entry 7202684
Chemical name |
2,3,4,5,6-pentafluorophenol 2,3,4,5,6-pentafluoroaniline 2:1 adduct |
Formula |
C18 H4 F15 N O2 |
Calculated formula |
C18 H4 F15 N O2 |
SMILES |
Oc1c(F)c(F)c(F)c(F)c1F.Oc1c(F)c(F)c(F)c(F)c1F.Nc1c(F)c(F)c(F)c(F)c1F |
Title of publication |
On the polymorphs of pentafluorophenol and its 2?:?1 co-crystal with pentafluoroaniline |
Authors of publication |
Gdaniec, Maria |
Journal of publication |
CrystEngComm |
Year of publication |
2007 |
Journal volume |
9 |
Journal issue |
4 |
Pages of publication |
286 |
a |
21.1635 ± 0.0016 Å |
b |
5.6554 ± 0.0004 Å |
c |
16.5577 ± 0.0013 Å |
α |
90° |
β |
114.797 ± 0.007° |
γ |
90° |
Cell volume |
1799 ± 0.3 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 ± 2 K |
Number of distinct elements |
5 |
Space group number |
9 |
Hermann-Mauguin space group symbol |
C 1 c 1 |
Hall space group symbol |
C -2yc |
Residual factor for all reflections |
0.0431 |
Residual factor for significantly intense reflections |
0.0313 |
Weighted residual factors for significantly intense reflections |
0.0573 |
Weighted residual factors for all reflections included in the refinement |
0.0608 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.95 |
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/7202684.html