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Information card for entry 1567465
Preview
| Coordinates | 1567465.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H46 N2 O2 |
|---|---|
| Calculated formula | C44 H46 N2 O2 |
| Title of publication | Flavanthrene derivatives as photostable and efficient singlet exciton fission materials |
| Authors of publication | Fei, Xian; Zhang, San; Zhai, Dong; Wang, Zhiwei; Lin, Jin-Liang; Xiao, Qi; Sun, Chun-Lin; Deng, Weiqiao; Zhang, Chunfeng; Hu, Wenping; Zhang, Hao-Li |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 17.3779 ± 0.0009 Å |
| b | 5.2454 ± 0.0003 Å |
| c | 19.4069 ± 0.001 Å |
| α | 90° |
| β | 108.694 ± 0.003° |
| γ | 90° |
| Cell volume | 1675.69 ± 0.16 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.108 |
| Residual factor for significantly intense reflections | 0.0837 |
| Weighted residual factors for significantly intense reflections | 0.2201 |
| Weighted residual factors for all reflections included in the refinement | 0.2462 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277218 (current) | 2022-08-13 | cif/ Adding structures of 1567465 via cif-deposit CGI script. |
1567465.cif |
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Users of the data should acknowledge the original authors of the
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