Information card for entry 8000206
| Formula |
C46 H54 O2 S4 |
| Calculated formula |
C46 H54 O2 S4 |
| Title of publication |
Structure–Photoluminescence Correlation for Two Crystalline Polymorphs of a Thiophene–Phenylene Co-Oligomer with Bulky Terminal Substituents |
| Authors of publication |
Nicolini, Tommaso; Famulari, Antonino; Gatti, Teresa; Martí-Rujas, Javier; Villafiorita-Monteleone, Francesca; Canesi, Eleonora V.; Meinardi, Francesco; Botta, Chiara; Parisini, Emilio; Meille, Stefano Valdo; Bertarelli, Chiara |
| Journal of publication |
The Journal of Physical Chemistry Letters |
| Year of publication |
2014 |
| Journal volume |
5 |
| Journal issue |
13 |
| Pages of publication |
2171 |
| a |
5.8691 ± 0.0006 Å |
| b |
14.2212 ± 0.0015 Å |
| c |
14.2606 ± 0.0014 Å |
| α |
113.921 ± 0.007° |
| β |
100.286 ± 0.007° |
| γ |
93.039 ± 0.007° |
| Cell volume |
1060.1 ± 0.2 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 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 |
0.0843 |
| Residual factor for significantly intense reflections |
0.0435 |
| Weighted residual factors for significantly intense reflections |
0.1172 |
| Weighted residual factors for all reflections included in the refinement |
0.151 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.991 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/8000206.html
