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 |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/7202684.html
