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Information card for entry 7234129
Preview
| Coordinates | 7234129.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H19 B F2 N2 S |
|---|---|
| Calculated formula | C23 H19 B F2 N2 S |
| SMILES | s1c2ccccc2[n]2c1C=C(N(c1c(cccc1C)C)[B]2(F)F)c1ccccc1 |
| Title of publication | Benzothiazole-enamide-based BF2 complexes: luminophores exhibiting aggregation-induced emission, tunable emission and highly efficient solid-state emission |
| Authors of publication | Qingsong Liu; Xiaoqing Wang; Hui Yan; Yanping Wu; Zhenyu Li; Shuwen Gong; Peng Liu; Zhipeng Liu |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 2953 - 2959 |
| a | 11.3993 ± 0.001 Å |
| b | 12.7664 ± 0.0009 Å |
| c | 15.0074 ± 0.0017 Å |
| α | 90° |
| β | 117.22 ± 0.007° |
| γ | 90° |
| Cell volume | 1942.1 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1042 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.1005 |
| Weighted residual factors for all reflections included in the refinement | 0.1249 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7234129.cif |
| 218813 | 2019-09-25 | cif/ Adding structures of 7234129 via cif-deposit CGI script. |
7234129.cif |
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Users of the data should acknowledge the original authors of the
structural data.