Information card for entry 1513389
| Formula |
C23 H16 S |
| Calculated formula |
C23 H16 S |
| SMILES |
c1ccc(c2c3ccc4cccc5c4c3c(cc2SC)cc5)cc1 |
| Title of publication |
Synthesis, Structure, and Opto-electronic Properties of Regioisomeric Pyrene-Thienoacenes. |
| Authors of publication |
Zhang, Shiqian; Qiao, Xiaolan; Chen, Ying; Wang, Yuanyuan; Edkins, Robert M.; Liu, Zhiqiang; Li, Hongxiang; Fang, Qi |
| Journal of publication |
Organic letters |
| Year of publication |
2014 |
| Journal volume |
16 |
| Journal issue |
2 |
| Pages of publication |
342 - 345 |
| a |
12.7799 ± 0.0003 Å |
| b |
12.0694 ± 0.0003 Å |
| c |
10.7199 ± 0.0003 Å |
| α |
90° |
| β |
95.423 ± 0.002° |
| γ |
90° |
| Cell volume |
1646.1 ± 0.07 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296.15 K |
| Number of distinct elements |
3 |
| 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 |
0.0904 |
| Residual factor for significantly intense reflections |
0.0514 |
| Weighted residual factors for significantly intense reflections |
0.1295 |
| Weighted residual factors for all reflections included in the refinement |
0.1549 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.011 |
| 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/1513389.html
