Information card for entry 7214510
| Formula |
C28 H16 Cl6 I2 N2 O2 |
| Calculated formula |
C28 H16 Cl6 I2 N2 O2 |
| SMILES |
IC#CCOc1c(Cl)cc(Cl)c(Cl)c1.IC#CCOc1c(Cl)cc(Cl)c(Cl)c1.n1ccc(cc1)c1ccncc1 |
| 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 |
7.4865 ± 0.0014 Å |
| b |
13.522 ± 0.003 Å |
| c |
17.24 ± 0.003 Å |
| α |
67.769 ± 0.009° |
| β |
81.362 ± 0.009° |
| γ |
79.166 ± 0.009° |
| Cell volume |
1580.7 ± 0.5 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0546 |
| Residual factor for significantly intense reflections |
0.0303 |
| Weighted residual factors for significantly intense reflections |
0.0633 |
| Weighted residual factors for all reflections included in the refinement |
0.0733 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.004 |
| 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/7214510.html
