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Information card for entry 7237752
Preview
| Coordinates | 7237752.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C42 H34 N2 O2 S3 |
|---|---|
| Calculated formula | C42 H34 N2 O2 S3 |
| Title of publication | The influence of molecular geometry on the efficiency of thermally activated delayed fluorescence |
| Authors of publication | Nobuyasu, Roberto S.; Ward, Jonathan S.; Gibson, Jamie; Laidlaw, Beth A.; Ren, Zhongjie; Data, Przemyslaw; Batsanov, Andrei S.; Penfold, Thomas J.; Bryce, Martin R.; Dias, Fernando B. |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2019 |
| Journal volume | 7 |
| Journal issue | 22 |
| Pages of publication | 6672 |
| a | 12.9638 ± 0.0008 Å |
| b | 14.1725 ± 0.001 Å |
| c | 9.5622 ± 0.0006 Å |
| α | 77.138 ± 0.002° |
| β | 84.451 ± 0.002° |
| γ | 83.336 ± 0.003° |
| Cell volume | 1696.64 ± 0.19 Å3 |
| Cell temperature | 190 K |
| Ambient diffraction temperature | 190 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 | 0.0947 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for significantly intense reflections | 0.0981 |
| Weighted residual factors for all reflections included in the refinement | 0.1128 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7237752.cif |
| 238584 | 2019-11-24 | cif/ Adding structures of 7237752, 7237753, 7237754, 7237755, 7237756 via cif-deposit CGI script. |
7237752.cif |
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Users of the data should acknowledge the original authors of the
structural data.