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Information card for entry 1574694
Preview
| Coordinates | 1574694.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H25 B N2 |
|---|---|
| Calculated formula | C33 H25 B N2 |
| Title of publication | Geometric control of multi-resonance backbone DABNA for narrowband deep-blue electroluminescence. |
| Authors of publication | Wu, Hao; Shi, Yi-Zhong; Li, Mo-Yuan; Fan, Xiao-Chun; Wang, Hui; Zhang, Tong-Yuan; Yu, Jia; Wang, Kai; Zhang, Xiao-Hong |
| Journal of publication | Materials horizons |
| Year of publication | 2025 |
| a | 7.4246 ± 0.0004 Å |
| b | 11.3666 ± 0.0006 Å |
| c | 28.6369 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2416.7 ± 0.2 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0972 |
| Residual factor for significantly intense reflections | 0.0557 |
| Weighted residual factors for significantly intense reflections | 0.1126 |
| Weighted residual factors for all reflections included in the refinement | 0.1353 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299762 (current) | 2025-05-21 | cif/ Adding structures of 1574694 via cif-deposit CGI script. |
1574694.cif |
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Users of the data should acknowledge the original authors of the
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