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Information card for entry 4514594
Preview
| Coordinates | 4514594.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57 H50 B N3 |
|---|---|
| Calculated formula | C57 H50 B N3 |
| Title of publication | Steric Switching for Thermally Activated Delayed Fluorescence by Controlling the Dihedral Angles between Donor and Acceptor in Organoboron Emitters. |
| Authors of publication | Wu, Tien-Lin; Lo, Shih-Han; Chang, Yu-Che; Huang, Min-Jie; Cheng, Chien-Hong |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2019 |
| Journal volume | 11 |
| Journal issue | 11 |
| Pages of publication | 10768 - 10776 |
| a | 42.226 ± 0.007 Å |
| b | 10.2992 ± 0.0018 Å |
| c | 21.399 ± 0.004 Å |
| α | 90° |
| β | 104.757 ± 0.005° |
| γ | 90° |
| Cell volume | 8999 ± 3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1486 |
| Residual factor for significantly intense reflections | 0.0611 |
| Weighted residual factors for significantly intense reflections | 0.1417 |
| Weighted residual factors for all reflections included in the refinement | 0.194 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219778 (current) | 2019-10-28 | cif/ Adding structures of 4514594 via cif-deposit CGI script. |
4514594.cif |
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Users of the data should acknowledge the original authors of the
structural data.