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Information card for entry 1567896
Preview
| Coordinates | 1567896.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | tBuCzDBA |
|---|---|
| Chemical name | 5,10-bis(4-(3,6-di-tert-butyl-9H-carbazol-9-yl)-2,6-dimethylphenyl)-5,10-diboranthrene |
| Formula | C68 H72 B2 N2 |
| Calculated formula | C68 H72 B2 N2 |
| Title of publication | Substituent engineering of the diboron molecular architecture for a nondoped and ultrathin emitting layer. |
| Authors of publication | Wu, Tien-Lin; Lei, Jian; Hsieh, Chia-Min; Chen, Yi-Kuan; Huang, Pei-Yun; Lai, Po-Ting; Chou, Tsu-Yu; Lin, Wei-Chen; Chen, Wei; Yu, Chi-Hua; Hsu, Liang-Yan; Lin, Hao-Wu; Cheng, Chien-Hong |
| Journal of publication | Chemical science |
| Year of publication | 2022 |
| Journal volume | 13 |
| Journal issue | 44 |
| Pages of publication | 12996 - 13005 |
| a | 9.5981 ± 0.0005 Å |
| b | 11.916 ± 0.0005 Å |
| c | 25.0597 ± 0.0011 Å |
| α | 85.521 ± 0.002° |
| β | 89.469 ± 0.002° |
| γ | 89.876 ± 0.002° |
| Cell volume | 2857.2 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.1122 |
| Residual factor for significantly intense reflections | 0.0679 |
| Weighted residual factors for significantly intense reflections | 0.1756 |
| Weighted residual factors for all reflections included in the refinement | 0.2002 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280166 (current) | 2023-01-06 | cif/ Updating files of 1567894, 1567895, 1567896 Original log message: Adding full bibliography for 1567894--1567896.cif. |
1567896.cif |
| 278931 | 2022-11-04 | cif/ Adding structures of 1567894, 1567895, 1567896 via cif-deposit CGI script. |
1567896.cif |
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Users of the data should acknowledge the original authors of the
structural data.