Information card for entry 2017733
Chemical name |
phenazine‒2,3,5,6-tetrafluorobenzene-1,4-diol (2/1) |
Formula |
C30 H18 F4 N4 O2 |
Calculated formula |
C30 H18 F4 N4 O2 |
SMILES |
c1ccc2c(c1)nc1c(n2)cccc1.c1ccc2c(c1)nc1c(n2)cccc1.Oc1c(F)c(F)c(c(c1F)F)O |
Title of publication |
Cocrystals of 2,3,5,6-tetrafluorobenzene-1,4-diol with diaza aromatic compounds |
Authors of publication |
Czapik, Agnieszka; Gdaniec, Maria |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2010 |
Journal volume |
66 |
Journal issue |
7 |
Pages of publication |
o356 - o360 |
a |
9.1482 ± 0.0005 Å |
b |
11.0393 ± 0.0006 Å |
c |
12.4185 ± 0.0008 Å |
α |
90° |
β |
102.585 ± 0.005° |
γ |
90° |
Cell volume |
1224.01 ± 0.13 Å3 |
Cell temperature |
294 ± 2 K |
Ambient diffraction temperature |
294 ± 2 K |
Number of distinct elements |
5 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.0536 |
Residual factor for significantly intense reflections |
0.0413 |
Weighted residual factors for significantly intense reflections |
0.1173 |
Weighted residual factors for all reflections included in the refinement |
0.1251 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.066 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2017733.html