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Information card for entry 1567045
Preview
| Coordinates | 1567045.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19.81 H14.44 Br0.19 N O |
|---|---|
| Calculated formula | C19.8125 H14.4375 Br0.1875 N O |
| Title of publication | Control of photoluminescence quantum yield and long-lived triplet emission lifetime in organic alloys |
| Authors of publication | Xu, Zhen; Hean, Duane; Yuan, Jennifer; Wolf, Michael O. |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 11.603 ± 0.0008 Å |
| b | 10.0711 ± 0.0006 Å |
| c | 12.3038 ± 0.0008 Å |
| α | 90° |
| β | 94.846 ± 0.002° |
| γ | 90° |
| Cell volume | 1432.62 ± 0.16 Å3 |
| Cell temperature | 100.15 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 5 |
| 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 | 0.0448 |
| Residual factor for significantly intense reflections | 0.0367 |
| Weighted residual factors for significantly intense reflections | 0.098 |
| Weighted residual factors for all reflections included in the refinement | 0.102 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275690 (current) | 2022-05-31 | cif/ Adding structures of 1567041, 1567042, 1567043, 1567044, 1567045, 1567046, 1567047 via cif-deposit CGI script. |
1567045.cif |
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Users of the data should acknowledge the original authors of the
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