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Information card for entry 1558855
Preview
| Coordinates | 1558855.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 10-(4-([3,2':6',3''-terpyridin]-4'-yl) phenyl)-10H-phenoxazine |
|---|---|
| Formula | C37 H30 N4 O2 |
| Calculated formula | C37 H30 N4 O2 |
| SMILES | O1c2c(N(c3c1cccc3)c1ccc(c3cc(nc(c3)c3cnccc3)c3cnccc3)cc1)cccc2.C1OCCC1 |
| Title of publication | Hydrogen bond-modulated molecular packing and its applications in high-performance non-doped organic electroluminescence |
| Authors of publication | Shi, Yizhong; Wang, Kai; Tsuchiya, Youichi; Liu, Wei; Komino, Takeshi; Fan, Xiaochun; Sun, Dianming; Dai, Gaole; Chen, Jiaxiong; Zhang, Ming; Zheng, Caijun; Xiong, Shiyun; Ou, Xuemei; Yu, Jia; Jie, Jiansheng; Lee, Chun-Sing; Adachi, Chihaya; Zhang, Xiaohong |
| Journal of publication | Materials Horizons |
| Year of publication | 2020 |
| Journal volume | 7 |
| Journal issue | 10 |
| Pages of publication | 2734 - 2740 |
| a | 8.7779 ± 0.0003 Å |
| b | 12.5445 ± 0.0004 Å |
| c | 14.1754 ± 0.0005 Å |
| α | 71.713 ± 0.002° |
| β | 82.118 ± 0.002° |
| γ | 73.527 ± 0.002° |
| Cell volume | 1419.26 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.099 |
| Residual factor for significantly intense reflections | 0.0732 |
| Weighted residual factors for significantly intense reflections | 0.1943 |
| Weighted residual factors for all reflections included in the refinement | 0.2134 |
| 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 |
|---|---|---|---|
| 258150 (current) | 2020-10-06 | cif/ Updating files of 1558853, 1558854, 1558855 Original log message: Adding full bibliography for 1558853--1558855.cif. |
1558855.cif |
| 255311 | 2020-08-14 | cif/ Adding structures of 1558853, 1558854, 1558855 via cif-deposit CGI script. |
1558855.cif |
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Users of the data should acknowledge the original authors of the
structural data.