Information card for entry 1508821
| Formula |
C26 H20 |
| Calculated formula |
C26 H20 |
| SMILES |
C(=C\C=C\C=C\c1c2ccccc2ccc1)/c1c2ccccc2ccc1 |
| Title of publication |
Fluorescence Properties of (E,E,E)-1,6-Di(n-naphthyl)-1,3,5-hexatriene (n = 1, 2): Effects of Internal Rotation. |
| Authors of publication |
Sonoda, Yoriko; Shimoi, Yukihiro; Goto, Midori; Tohnai, Norimitsu; Kanesato, Masatoshi |
| Journal of publication |
The journal of physical chemistry. A |
| Year of publication |
2013 |
| Journal volume |
117 |
| Journal issue |
3 |
| Pages of publication |
566 - 578 |
| a |
6.95 ± 0.005 Å |
| b |
7.4 ± 0.005 Å |
| c |
17.571 ± 0.012 Å |
| α |
92.119 ± 0.012° |
| β |
96.424 ± 0.013° |
| γ |
90.191 ± 0.011° |
| Cell volume |
897.4 ± 1.1 Å3 |
| Cell temperature |
183 ± 2 K |
| Ambient diffraction temperature |
183 ± 2 K |
| Number of distinct elements |
2 |
| Space group number |
1 |
| Hermann-Mauguin space group symbol |
P 1 |
| Hall space group symbol |
P 1 |
| Residual factor for all reflections |
0.1226 |
| Residual factor for significantly intense reflections |
0.0828 |
| Weighted residual factors for significantly intense reflections |
0.1965 |
| Weighted residual factors for all reflections included in the refinement |
0.2195 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.019 |
| Diffraction radiation wavelength |
0.71069 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/1508821.html
