Information card for entry 7229847
| Formula |
C32 H32 N2 O4 S4 |
| Calculated formula |
C32 H32 N2 O4 S4 |
| Title of publication |
A synergic approach of X-ray powder diffraction and Raman spectroscopy for crystal structure determination of 2,3-thienoimide capped oligothiophenes. |
| Authors of publication |
Cappuccino, C.; Mazzeo, P. P.; Salzillo, T.; Venuti, E.; Giunchi, A.; Della Valle, R. G.; Brillante, A.; Bettini, C.; Melucci, M.; Maini, L. |
| Journal of publication |
Physical chemistry chemical physics : PCCP |
| Year of publication |
2018 |
| Journal volume |
20 |
| Journal issue |
5 |
| Pages of publication |
3630 - 3636 |
| a |
4.914 ± 0.006 Å |
| b |
5.655 ± 0.007 Å |
| c |
28.95 ± 0.03 Å |
| α |
87.035 ± 0.005° |
| β |
84.31 ± 0.004° |
| γ |
85.513 ± 0.004° |
| Cell volume |
797.3 ± 1.6 Å3 |
| Cell temperature |
298 K |
| Ambient diffraction temperature |
298 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor R(I) for significantly intense reflections |
0.0171 |
| Goodness-of-fit parameter for all reflections |
10.5326 |
| Method of determination |
powder diffraction |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
0.775375 Å |
| Diffraction radiation type |
synchrotron |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/7229847.html
