Information card for entry 7249933
| Formula |
C40 H32 O2 |
| Calculated formula |
C40 H32 O2 |
| Title of publication |
Using an aromatic linker to optimize charge-resonance states, photodimerization and reversibility in covalent anthracene dimers |
| Authors of publication |
Lam, Kevin; Dillon, Robert J.; Carreras, Abel; Nishiuchi, Tomohiko; Kubo, Takashi; Al-Kaysi, Rabih O; Casanova, David; Bardeen, Christopher J. |
| Journal of publication |
Physical Chemistry Chemical Physics |
| Year of publication |
2024 |
| a |
9.1458 ± 0.001 Å |
| b |
11.4764 ± 0.0014 Å |
| c |
26.799 ± 0.003 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
2812.8 ± 0.6 Å3 |
| Cell temperature |
113 ± 2 K |
| Ambient diffraction temperature |
113.15 K |
| Number of distinct elements |
3 |
| Space group number |
19 |
| Hermann-Mauguin space group symbol |
P 21 21 21 |
| Hall space group symbol |
P 2ac 2ab |
| Residual factor for all reflections |
0.0856 |
| Residual factor for significantly intense reflections |
0.0517 |
| Weighted residual factors for significantly intense reflections |
0.1013 |
| Weighted residual factors for all reflections included in the refinement |
0.114 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.99 |
| Diffraction radiation wavelength |
0.71075 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7249933.html
