Information card for entry 7202383
| Chemical name |
E,E,E-1,6-diphenyl-1,3,5-hexatriene |
| Formula |
C18 H16 |
| Calculated formula |
C18 H16 |
| SMILES |
c1(ccccc1)/C=C/C=C/C=C/c1ccccc1 |
| Title of publication |
Conformational change of all-trans-1,6-diphenyl-1,3,5-hexatriene in two crystalline forms |
| Authors of publication |
Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro |
| Journal of publication |
CrystEngComm |
| Year of publication |
2008 |
| Journal volume |
10 |
| Journal issue |
12 |
| Pages of publication |
1777 |
| a |
7.7439 ± 0.0005 Å |
| b |
9.8691 ± 0.0007 Å |
| c |
18.1365 ± 0.0012 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
1386.09 ± 0.16 Å3 |
| Cell temperature |
300 K |
| Ambient diffraction temperature |
300 K |
| Number of distinct elements |
2 |
| Space group number |
61 |
| Hermann-Mauguin space group symbol |
P b c a |
| Hall space group symbol |
-P 2ac 2ab |
| Residual factor for all reflections |
0.0816 |
| Residual factor for significantly intense reflections |
0.0398 |
| Weighted residual factors for significantly intense reflections |
0.09 |
| Weighted residual factors for all reflections included in the refinement |
0.113 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.994 |
| 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/7202383.html
