Information card for entry 2207420
Chemical name |
2,4,5,6-tetrachloro-1,3-dicyanobenzene-pyrene (1/1) |
Formula |
C24 H10 Cl4 N2 |
Calculated formula |
C24 H10 Cl4 N2 |
SMILES |
c1cc2ccc3c4c2c(c1)ccc4ccc3.N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl |
Title of publication |
A 1:1 complex of 2,4,5,6-tetrachloro-1,3-dicyanobenzene with pyrene |
Authors of publication |
Britton, Doyle |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2005 |
Journal volume |
61 |
Journal issue |
12 |
Pages of publication |
o4188 - o4189 |
a |
12.032 ± 0.003 Å |
b |
15.808 ± 0.004 Å |
c |
10.673 ± 0.003 Å |
α |
90° |
β |
103.66 ± 0.03° |
γ |
90° |
Cell volume |
1972.6 ± 0.9 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 2 K |
Number of distinct elements |
4 |
Space group number |
15 |
Hermann-Mauguin space group symbol |
C 1 2/c 1 |
Hall space group symbol |
-C 2yc |
Residual factor for all reflections |
0.053 |
Residual factor for significantly intense reflections |
0.04 |
Weighted residual factors for significantly intense reflections |
0.107 |
Weighted residual factors for all reflections included in the refinement |
0.115 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.03 |
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/2207420.html