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Information card for entry 8000286
Preview
| Coordinates | 8000286.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C50 H32 N2 O |
|---|---|
| Calculated formula | C50 H32 N2 O |
| Title of publication | Fine Modulation of the Higher-Order Excitonic States toward More Efficient Conversion from Upper-Level Triplet to Singlet. |
| Authors of publication | Xu, Yuwei; Wang, Cong; Zhou, Xuehong; Zhou, Jiadong; Guo, Xiaomin; Liang, Xiaoming; Hu, Dehua; Li, Feng; Ma, Dongge; Ma, Yuguang |
| Journal of publication | The journal of physical chemistry letters |
| Year of publication | 2019 |
| Pages of publication | 6878 - 6884 |
| a | 9.5474 ± 0.0003 Å |
| b | 13.5232 ± 0.0004 Å |
| c | 13.8528 ± 0.0004 Å |
| α | 96.265 ± 0.002° |
| β | 101.881 ± 0.002° |
| γ | 94.046 ± 0.002° |
| Cell volume | 1731.81 ± 0.09 Å3 |
| Cell temperature | 100 ± 0.9 K |
| Ambient diffraction temperature | 100 ± 0.9 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0585 |
| Residual factor for significantly intense reflections | 0.0508 |
| Weighted residual factors for significantly intense reflections | 0.1328 |
| Weighted residual factors for all reflections included in the refinement | 0.1384 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| 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 |
|---|---|---|---|
| 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. |
8000286.cif |
| 219631 | 2019-10-28 | cif/ Adding structures of 8000286 via cif-deposit CGI script. |
8000286.cif |
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Users of the data should acknowledge the original authors of the
structural data.