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Information card for entry 8000563
Preview
| Coordinates | 8000563.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H8 N2 O2 |
|---|---|
| Calculated formula | C14 H8 N2 O2 |
| Title of publication | H-Type-like Aggregation-Accelerated Singlet Fission Process in Dipyrrolonaphthyridinedione Thin Film: The Role of Charge Transfer/Excimer Mixed Intermediate State. |
| Authors of publication | Wang, Long; Cai, Wanlin; Sun, Jing; Wu, Yuling; Zhang, Bin; Tian, Xiangbin; Guo, Shaoting; Liang, WanZhen; Fu, Hongbing; Yao, Jiannian |
| Journal of publication | The journal of physical chemistry letters |
| Year of publication | 2021 |
| Journal volume | 12 |
| Journal issue | 51 |
| Pages of publication | 12276 - 12282 |
| a | 6.6191 ± 0.0002 Å |
| b | 3.797 ± 0.0001 Å |
| c | 19.903 ± 0.0005 Å |
| α | 90° |
| β | 94.592 ± 0.003° |
| γ | 90° |
| Cell volume | 498.61 ± 0.02 Å3 |
| Cell temperature | 170 ± 0.11 K |
| Ambient diffraction temperature | 170 ± 0.11 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0403 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0929 |
| Weighted residual factors for all reflections included in the refinement | 0.0951 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| 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 |
|---|---|---|---|
| 271788 (current) | 2022-01-04 | cif/ Adding structures of 8000563 via cif-deposit CGI script. |
8000563.cif |
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Users of the data should acknowledge the original authors of the
structural data.