Information card for entry 7202381
Chemical name |
E,E,E-1,6-diphenylhexatriene |
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 |
7.4842 ± 0.0003 Å |
b |
10.0656 ± 0.0004 Å |
c |
17.6698 ± 0.0007 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1331.12 ± 0.09 Å3 |
Cell temperature |
90 K |
Ambient diffraction temperature |
90 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 |
0.0484 |
Residual factor for significantly intense reflections |
0.0432 |
Weighted residual factors for significantly intense reflections |
0.1141 |
Weighted residual factors for all reflections included in the refinement |
0.1187 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.047 |
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/7202381.html