Information card for entry 7200489
Common name |
1-(2,3,4,5,6-pentafluorobenzyl)-3-benzylimidazolium bromide |
Chemical name |
1-(2,3,4,5,6-pentafluorobenzyl)-3-benzylimidazolium bromide |
Formula |
C17 H12 Br F5 N2 |
Calculated formula |
C17 H12 Br F5 N2 |
SMILES |
[Br-].Fc1c(C[n+]2cn(cc2)Cc2ccccc2)c(F)c(F)c(F)c1F |
Title of publication |
Bottom-up design and construction of a non-centrosymmetric network through π‒π stacking interactions |
Authors of publication |
Serrano-Becerra, J. M.; Hernández-Ortega, S.; Morales-Morales, D.; Valdés-Martínez, J. |
Journal of publication |
CrystEngComm |
Year of publication |
2009 |
Journal volume |
11 |
Journal issue |
2 |
Pages of publication |
226 - 228 |
a |
6.4341 ± 0.0012 Å |
b |
7.3046 ± 0.0014 Å |
c |
8.8257 ± 0.0017 Å |
α |
85.98 ± 0.004° |
β |
88.527 ± 0.004° |
γ |
83.187 ± 0.004° |
Cell volume |
410.79 ± 0.14 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
5 |
Space group number |
1 |
Hermann-Mauguin space group symbol |
P 1 |
Hall space group symbol |
P 1 |
Residual factor for all reflections |
0.0411 |
Residual factor for significantly intense reflections |
0.0363 |
Weighted residual factors for significantly intense reflections |
0.0752 |
Weighted residual factors for all reflections included in the refinement |
0.0765 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.911 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/7200489.html