Information card for entry 1558914
| Formula |
C28 H12 Br4 O3 |
| Calculated formula |
C28 H12 Br4 O3 |
| Title of publication |
Charge transfer excitons in a donor–acceptor amphidynamic crystal: the role of dipole orientational order |
| Authors of publication |
Macdonald, Joshua W. R.; Piana, Giacomo; Comin, Massimiliano; von Hauff, Elizabeth; Kociok-Köhn, Gabriele; Bowen, Chris; Lagoudakis, Pavlos; D'Avino, Gabriele; Da Como, Enrico |
| Journal of publication |
Materials Horizons |
| Year of publication |
2020 |
| Journal volume |
7 |
| Journal issue |
11 |
| Pages of publication |
2951 - 2958 |
| a |
9.9529 ± 0.0005 Å |
| b |
10.0251 ± 0.0004 Å |
| c |
12.5133 ± 0.0006 Å |
| α |
85.623 ± 0.004° |
| β |
73.77 ± 0.004° |
| γ |
68.865 ± 0.004° |
| Cell volume |
1117.75 ± 0.1 Å3 |
| Cell temperature |
150 ± 2 K |
| Ambient diffraction temperature |
150 ± 0.1 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0427 |
| Residual factor for significantly intense reflections |
0.0411 |
| Weighted residual factors for significantly intense reflections |
0.1081 |
| Weighted residual factors for all reflections included in the refinement |
0.1104 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.056 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/1558914.html
