Information card for entry 1577332
| Formula |
C54 H58 Si2 |
| Calculated formula |
C54 H58 Si2 |
| Title of publication |
Linearly Acenaphthylene-Fused Pentacene Exhibiting Efficient Singlet Fission |
| Authors of publication |
Arvidson, Jacob; Shaikh, Saad; Tanaka, Masahiro; Pawale, Tejal; Dawson, Andrew; Li, Xiao; Nesterov, Vladimir; Kobori, Yasuhiro; Das, Somnath; Wang, Hong |
| Journal of publication |
Chemical Science |
| Year of publication |
2026 |
| a |
8.3765 ± 0.0001 Å |
| b |
14.9634 ± 0.0002 Å |
| c |
17.9969 ± 0.0002 Å |
| α |
89.442 ± 0.001° |
| β |
85.365 ± 0.001° |
| γ |
79.872 ± 0.001° |
| Cell volume |
2213.31 ± 0.05 Å3 |
| Cell temperature |
102 ± 3 K |
| Ambient diffraction temperature |
102 ± 3 K |
| Number of distinct elements |
3 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0517 |
| Residual factor for significantly intense reflections |
0.0465 |
| Weighted residual factors for significantly intense reflections |
0.1244 |
| Weighted residual factors for all reflections included in the refinement |
0.1282 |
| 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 |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/1577332.html
