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Information card for entry 7129896
Preview
| Coordinates | 7129896.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274007 (current) | 2022-03-26 | cif/ Adding structures of 7129894, 7129895, 7129896 via cif-deposit CGI script. |
7129896.cif |
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Users of the data should acknowledge the original authors of the
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