Information card for entry 1554161
| Formula |
C36 H28 N2 S |
| Calculated formula |
C36 H28 N2 S |
| SMILES |
s1nc2c(n1)c(ccc2c1ccc2c3ccccc3C(C)(C)c2c1)c1ccc2c3ccccc3C(C)(C)c2c1 |
| Title of publication |
Effect of Monofluoro Substitution on the Optoelectronic Properties of Benzo[c][1,2,5]thiadiazole Based Organic Semiconductors |
| Authors of publication |
Zhong, Wenkai; Liang, Junfei; Hu, Shuzhi; Jiang, Xiao-Fang; Ying, Lei; Huang, Fei; Yang, Wei; Cao, Yong |
| Journal of publication |
Macromolecules |
| Year of publication |
2016 |
| Journal volume |
49 |
| Journal issue |
16 |
| Pages of publication |
5806 |
| a |
8.91 ± 0.0018 Å |
| b |
11.88 ± 0.002 Å |
| c |
13.67 ± 0.003 Å |
| α |
107.8 ± 0.03° |
| β |
93.2 ± 0.03° |
| γ |
102.2 ± 0.03° |
| Cell volume |
1335.3 ± 0.6 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 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 all reflections |
0.187 |
| Residual factor for significantly intense reflections |
0.0656 |
| Weighted residual factors for significantly intense reflections |
0.1302 |
| Weighted residual factors for all reflections included in the refinement |
0.1813 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.044 |
| 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/1554161.html
