Information card for entry 7214514
| Formula |
C9 H4 Cl3 I O |
| Calculated formula |
C9 H4 Cl3 I O |
| SMILES |
IC#CCOc1c(Cl)cc(Cl)c(Cl)c1 |
| Title of publication |
Polymorphs and co-crystals of haloprogin: an antifungal agent |
| Authors of publication |
Baldrighi, Michele; Bartesaghi, Davide; Cavallo, Gabriella; Chierotti, Michele R.; Gobetto, Roberto; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo |
| Journal of publication |
CrystEngComm |
| Year of publication |
2014 |
| Journal volume |
16 |
| Journal issue |
26 |
| Pages of publication |
5897 |
| a |
4.2659 ± 0.0006 Å |
| b |
10.4936 ± 0.0014 Å |
| c |
13.3814 ± 0.0016 Å |
| α |
108.226 ± 0.012° |
| β |
93.893 ± 0.012° |
| γ |
90.291 ± 0.012° |
| Cell volume |
567.43 ± 0.14 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0385 |
| Residual factor for significantly intense reflections |
0.0314 |
| Weighted residual factors for significantly intense reflections |
0.0737 |
| Weighted residual factors for all reflections included in the refinement |
0.0785 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.059 |
| 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/7214514.html
