Information card for entry 7129896
| Formula |
C96 H87 N3 O6 |
| Calculated formula |
C96 H87 N3 O6 |
| Title of publication |
Perylene Five-membered Ring Diimide for Organic Semiconductors and π-Expanded Conjugated Molecules |
| Authors of publication |
Chen, Liangliang; Wu, Botao; Qin, Liyuan; Huang, Yan-Ying; Meng, Wei; Kong, Ruirui; Yu, Xiaobo; ChenChai, Kaiyuan; Li, Cheng; Zhang, Guanxin; Zhang, Xisha; Zhang, Deqing |
| Journal of publication |
Chemical Communications |
| Year of publication |
2022 |
| a |
40.9622 ± 0.001 Å |
| b |
10.7321 ± 0.0002 Å |
| c |
39.9989 ± 0.001 Å |
| α |
90° |
| β |
114.469 ± 0.003° |
| γ |
90° |
| Cell volume |
16004.6 ± 0.7 Å3 |
| Cell temperature |
169.99 ± 0.14 K |
| Ambient diffraction temperature |
169.99 ± 0.14 K |
| Number of distinct elements |
4 |
| Space group number |
15 |
| Hermann-Mauguin space group symbol |
C 1 2/c 1 |
| Hall space group symbol |
-C 2yc |
| Residual factor for all reflections |
0.13 |
| Residual factor for significantly intense reflections |
0.0737 |
| Weighted residual factors for significantly intense reflections |
0.1928 |
| Weighted residual factors for all reflections included in the refinement |
0.2267 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.028 |
| 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/7129896.html
