Information card for entry 2018737
Chemical name |
3,5-Dimethyl-4-[(<i>E</i>)-(2-nitrophenyl)diazenyl]- 1-(2,3,4,5,6-pentafluorophenyl)-1<i>H</i>-pyrazole |
Formula |
C17 H10 F5 N5 O2 |
Calculated formula |
C17 H10 F5 N5 O2 |
Title of publication |
3,5-Dimethyl-4-[(<i>E</i>)-(2-nitrophenyl)diazenyl]-1-(2,3,4,5,6-pentafluorophenyl)-1<i>H</i>-pyrazole |
Authors of publication |
Alvarez Thon, Luis; Bustos, Carlos; Diaz-Marín, Fernando; Garland, Maria Teresa; Baggio, Ricardo |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2013 |
Journal volume |
69 |
Journal issue |
1 |
Pages of publication |
101 - 104 |
a |
7.4932 ± 0.0008 Å |
b |
10.5834 ± 0.0011 Å |
c |
11.4141 ± 0.0012 Å |
α |
102.69 ± 0.002° |
β |
100.459 ± 0.002° |
γ |
101.986 ± 0.002° |
Cell volume |
838.99 ± 0.15 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 |
0.0536 |
Residual factor for significantly intense reflections |
0.0406 |
Weighted residual factors for significantly intense reflections |
0.0999 |
Weighted residual factors for all reflections included in the refinement |
0.1083 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.002 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
Yes |
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https://www.crystallography.net/2018737.html