Information card for entry 2229119
Chemical name |
<i>meso</i>-5,5'-Bis[(4-fluorophenyl)diazenyl]-2,2'-(pentane-3,3-diyl)di- 1<i>H</i>-pyrrole |
Formula |
C25 H24 F2 N6 |
Calculated formula |
C25 H24 F2 N6 |
SMILES |
Fc1ccc(N=Nc2[nH]c(cc2)C(CC)(CC)c2[nH]c(N=Nc3ccc(F)cc3)cc2)cc1 |
Title of publication |
<i>meso</i>-5,5'-Bis[(4-fluorophenyl)diazenyl]-2,2'-(pentane-3,3-diyl)di-1<i>H</i>-pyrrole |
Authors of publication |
Li, Boyang; Zhang, Guilong; Sun, Shipeng; Yin, Zhenming |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
2 |
Pages of publication |
o247 |
a |
9.727 ± 0.002 Å |
b |
29.896 ± 0.007 Å |
c |
16.366 ± 0.004 Å |
α |
90° |
β |
90.745 ± 0.004° |
γ |
90° |
Cell volume |
4758.8 ± 1.9 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 2 K |
Number of distinct elements |
4 |
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 |
0.0806 |
Residual factor for significantly intense reflections |
0.0479 |
Weighted residual factors for significantly intense reflections |
0.1179 |
Weighted residual factors for all reflections included in the refinement |
0.1404 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.012 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2229119.html