Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7154439
Preview
| Coordinates | 7154439.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H24 B N O |
|---|---|
| Calculated formula | C31 H24 B N O |
| SMILES | O1C(=C(c2[n](cccc2)[B]1(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 |
| Title of publication | High solid-state luminescence in propeller-shaped AIE-active pyridine-ketoiminate-boron complexes. |
| Authors of publication | Wu, Yanping; Li, Zhenyu; Liu, Qingsong; Wang, Xiaoqing; Yan, Hui; Gong, Shuwen; Liu, Zhipeng; He, Weijiang |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2015 |
| Journal volume | 13 |
| Journal issue | 20 |
| Pages of publication | 5775 - 5782 |
| a | 9.2542 ± 0.0008 Å |
| b | 9.8875 ± 0.0009 Å |
| c | 14.4448 ± 0.0013 Å |
| α | 109.354 ± 0.002° |
| β | 102.882 ± 0.001° |
| γ | 95.386 ± 0.001° |
| Cell volume | 1195.24 ± 0.19 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 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 | 0.1048 |
| Residual factor for significantly intense reflections | 0.0511 |
| Weighted residual factors for significantly intense reflections | 0.1568 |
| Weighted residual factors for all reflections included in the refinement | 0.2173 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.697 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7154439.cif |
| 138835 | 2015-06-07 | cif/ Updating files of 7154438, 7154439 Original log message: Adding full bibliography for 7154438--7154439.cif. |
7154439.cif |
| 135983 | 2015-05-09 | cif/ Adding structures of 7154438, 7154439 via cif-deposit CGI script. |
7154439.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.