Information card for entry 2205513
Chemical name |
2,4,6-tris(pyrimidin-2-ylsulfanyl)-1,3,5-triazine |
Formula |
C15 H9 N9 S3 |
Calculated formula |
C15 H9 N9 S3 |
SMILES |
S(c1ncccn1)c1nc(Sc2ncccn2)nc(Sc2ncccn2)n1 |
Title of publication |
2,4,6-Tris(pyrimidin-2-ylsulfanyl)-1,3,5-triazine |
Authors of publication |
Zhang, Lei; Zhao, Xin-Hua; Wang, Xiao-Dong |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2005 |
Journal volume |
61 |
Journal issue |
4 |
Pages of publication |
o1133 - o1134 |
a |
9.02 ± 0.001 Å |
b |
18.233 ± 0.003 Å |
c |
11.219 ± 0.002 Å |
α |
90° |
β |
107.908 ± 0.002° |
γ |
90° |
Cell volume |
1755.7 ± 0.5 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 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 |
0.0613 |
Residual factor for significantly intense reflections |
0.035 |
Weighted residual factors for all reflections included in the refinement |
0.0895 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.084 |
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/2205513.html