Information card for entry 2018230
Chemical name |
2,3,4,5,6-pentafluorophenol‒phenazine (5/1) |
Formula |
C42 H13 F25 N2 O5 |
Calculated formula |
C42 H13 F25 N2 O5 |
Title of publication |
5:1 and 2:1 cocrystals of 2,3,4,5,6-pentafluorophenol with phenazine |
Authors of publication |
Czapik, Agnieszka; Gdaniec, Maria |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
9 |
Pages of publication |
o341 - o345 |
a |
16.1015 ± 0.0007 Å |
b |
4.5223 ± 0.0002 Å |
c |
27.4753 ± 0.0012 Å |
α |
90° |
β |
97.315 ± 0.004° |
γ |
90° |
Cell volume |
1984.35 ± 0.15 Å3 |
Cell temperature |
130 ± 2 K |
Ambient diffraction temperature |
130 ± 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 |
0.0483 |
Residual factor for significantly intense reflections |
0.0405 |
Weighted residual factors for significantly intense reflections |
0.1096 |
Weighted residual factors for all reflections included in the refinement |
0.1147 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.076 |
Diffraction radiation wavelength |
1.5418 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2018230.html