Information card for entry 7216735
| Formula |
C34 H34 |
| Calculated formula |
C34 H34 |
| SMILES |
c1(ccccc1)C(=CC=C(c1ccccc1)c1ccccc1)c1ccccc1.C1CCCCC1 |
| Title of publication |
Exploration of the polymorph landscape for 1,1,4,4-tetraphenyl-1,3-butadiene |
| Authors of publication |
Bacchi, A.; Brillante, A.; Crocco, D.; Chierotti, M. R.; Della Valle, R. G.; Girlando, A.; Masino, M.; Pelagatti, P.; Venuti, E. |
| Journal of publication |
CrystEngComm |
| Year of publication |
2014 |
| Journal volume |
16 |
| Journal issue |
35 |
| Pages of publication |
8205 |
| a |
8.846 ± 0.003 Å |
| b |
8.839 ± 0.003 Å |
| c |
10.016 ± 0.003 Å |
| α |
74.927 ± 0.006° |
| β |
64.092 ± 0.005° |
| γ |
68.128 ± 0.006° |
| Cell volume |
649.3 ± 0.4 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
2 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1203 |
| Residual factor for significantly intense reflections |
0.0677 |
| Weighted residual factors for significantly intense reflections |
0.195 |
| Weighted residual factors for all reflections included in the refinement |
0.2321 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.976 |
| 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/7216735.html
