Information card for entry 1513390
| Formula |
C22 H12 S |
| Calculated formula |
C22 H12 S |
| SMILES |
S1c2c(cccc2)c2c3c4c5c(cccc5ccc4cc2)cc13 |
| 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 |
4.3991 ± 0.0003 Å |
| b |
15.0875 ± 0.0012 Å |
| c |
21.4552 ± 0.0015 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
1424.01 ± 0.18 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 K |
| Number of distinct elements |
3 |
| Space group number |
19 |
| Hermann-Mauguin space group symbol |
P 21 21 21 |
| Hall space group symbol |
P 2ac 2ab |
| Residual factor for all reflections |
0.0907 |
| Residual factor for significantly intense reflections |
0.0562 |
| Weighted residual factors for significantly intense reflections |
0.1227 |
| Weighted residual factors for all reflections included in the refinement |
0.1394 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.301 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/1513390.html
