Information card for entry 7201323
| Formula |
C9 H4 Br N S3 |
| Calculated formula |
C9 H4 Br N S3 |
| SMILES |
Brc1sc(c2sc(SC#N)cc2)cc1 |
| Title of publication |
Oligothiophenes substituted with the thionitrile group: synthesis, characterization, and thin-film formation on gold substrates |
| Authors of publication |
Morgan, Ian S.; D'Aleo, Danielle N.; Hudolin, Marissa L.; Chen, Aicheng; Assoud, Abdeljalil; Jenkins, Hilary A.; MacKinnon, Craig D. |
| Journal of publication |
Journal of Materials Chemistry |
| Year of publication |
2009 |
| Journal volume |
19 |
| Journal issue |
43 |
| Pages of publication |
8162 |
| a |
18.9434 ± 0.0015 Å |
| b |
4.6452 ± 0.0004 Å |
| c |
25.872 ± 0.003 Å |
| α |
90° |
| β |
110.369 ± 0.001° |
| γ |
90° |
| Cell volume |
2134.3 ± 0.4 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
15 |
| Hermann-Mauguin space group symbol |
C 1 2/c 1 |
| Hall space group symbol |
-C 2yc |
| Residual factor for all reflections |
0.0262 |
| Residual factor for significantly intense reflections |
0.0217 |
| Weighted residual factors for significantly intense reflections |
0.0565 |
| Weighted residual factors for all reflections included in the refinement |
0.0584 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.063 |
| 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/7201323.html
