Information card for entry 1551762
| Formula |
C13 H14 N2 S3 |
| Calculated formula |
C13 H14 N2 S3 |
| Title of publication |
Crystal Structure of 1,3,5-Trimethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrithione |
| Authors of publication |
TAKECHI, Haruko; KUBO, Kanji; TAKAHASHI, Hajime; MATSUMOTO, Taisuke |
| Journal of publication |
X-ray Structure Analysis Online |
| Year of publication |
2010 |
| Journal volume |
26 |
| Pages of publication |
5 |
| a |
8.875 ± 0.003 Å |
| b |
11.682 ± 0.004 Å |
| c |
13.957 ± 0.004 Å |
| α |
80.248 ± 0.011° |
| β |
80.896 ± 0.011° |
| γ |
75.404 ± 0.01° |
| Cell volume |
1369.9 ± 0.8 Å3 |
| Cell temperature |
123.1 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for significantly intense reflections |
0.0372 |
| Weighted residual factors for all reflections included in the refinement |
0.0949 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.02 |
| Diffraction radiation wavelength |
0.7107 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/1551762.html
