Information card for entry 2018312
Chemical name |
2,5-diphenyl-1,3,4-selenadiazole |
Formula |
C14 H10 N2 Se |
Calculated formula |
C14 H10 N2 Se |
SMILES |
[se]1c(nnc1c1ccccc1)c1ccccc1 |
Title of publication |
2,5-Diaryl-1,3,4-selenadiazoles prepared from Woollins' reagent |
Authors of publication |
Cordes, David B.; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
12 |
Pages of publication |
o509 - o514 |
a |
13.036 ± 0.004 Å |
b |
5.465 ± 0.0014 Å |
c |
16.274 ± 0.005 Å |
α |
90° |
β |
101.86 ± 0.007° |
γ |
90° |
Cell volume |
1134.6 ± 0.6 Å3 |
Cell temperature |
93 ± 2 K |
Ambient diffraction temperature |
93 ± 2 K |
Number of distinct elements |
4 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0484 |
Residual factor for significantly intense reflections |
0.0411 |
Weighted residual factors for significantly intense reflections |
0.0751 |
Weighted residual factors for all reflections included in the refinement |
0.0806 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.087 |
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/2018312.html