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Information card for entry 8000450
Preview
| Coordinates | 8000450.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C94 H82 N4 O2 S4 |
|---|---|
| Calculated formula | C94 H82 N4 O2 S4 |
| Title of publication | Ultrafast and Long-Range Exciton Migration through Anisotropic Coulombic Coupling in the Textured Films of Fused-Ring Electron Acceptors. |
| Authors of publication | Zhou, Jiadong; Wen, Xinbo; Tang, Ningning; Zhou, Xuehong; Wang, Cong; Zheng, Nan; Liu, Linlin; Xie, Zengqi |
| Journal of publication | The journal of physical chemistry letters |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 18 |
| Pages of publication | 7908 - 7913 |
| a | 15.7472 ± 0.0004 Å |
| b | 16.9033 ± 0.0007 Å |
| c | 18.0345 ± 0.0007 Å |
| α | 64.976 ± 0.004° |
| β | 73.853 ± 0.003° |
| γ | 84.654 ± 0.003° |
| Cell volume | 4176.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0916 |
| Residual factor for significantly intense reflections | 0.0573 |
| Weighted residual factors for significantly intense reflections | 0.1367 |
| Weighted residual factors for all reflections included in the refinement | 0.1508 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8000450.cif |
| 257162 | 2020-10-04 | cif/ Updating files of 8000450 Original log message: Adding full bibliography for 8000450.cif. |
8000450.cif |
| 256281 | 2020-09-10 | cif/ Adding structures of 8000450 via cif-deposit CGI script. |
8000450.cif |
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Users of the data should acknowledge the original authors of the
structural data.