Information card for entry 4502094
| Formula |
C15 H14 F2 N6 O3 |
| Calculated formula |
C15 H14 F2 N6 O3 |
| Title of publication |
Fluconazole Cocrystals with Dicarboxylic Acids |
| Authors of publication |
Kastelic, Jože; Hodnik, Žiga; Šket, Primož; Plavec, Janez; Lah, Nina; Leban, Ivan; Pajk, Matjaž; Planinšek, Odon; Kikelj, Danijel |
| Journal of publication |
Crystal Growth & Design |
| Year of publication |
2010 |
| Journal volume |
10 |
| Journal issue |
11 |
| Pages of publication |
4943 |
| a |
8.4151 ± 0.0003 Å |
| b |
10.0035 ± 0.0004 Å |
| c |
10.6165 ± 0.0003 Å |
| α |
75.077 ± 0.002° |
| β |
86.219 ± 0.003° |
| γ |
76.054 ± 0.002° |
| Cell volume |
838.1 ± 0.05 Å3 |
| Cell temperature |
150 ± 2 K |
| Ambient diffraction temperature |
150 ± 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 |
0.0662 |
| Residual factor for significantly intense reflections |
0.0425 |
| Weighted residual factors for significantly intense reflections |
0.0961 |
| Weighted residual factors for all reflections included in the refinement |
0.1073 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.033 |
| 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/4502094.html
