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Information card for entry 7234146
Preview
| Coordinates | 7234146.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H12 B F2 N3 |
|---|---|
| Calculated formula | C18 H12 B F2 N3 |
| SMILES | [B]1(F)(F)[n]2c(N=c3n1c1ccccc1cc3)ccc1ccccc21 |
| Title of publication | Aza-boron-diquinomethene complexes bearing N-aryl chromophores: synthesis, crystal structures, tunable photophysics, the protonation effect and their application as pH sensors |
| Authors of publication | Xiaolin Zhu; Hai Huang; Rui Liu; Xiaodong Jin; Yuhao Li; Danfeng Wang; Qiang Wang; Hongjun Zhu |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 3774 - 3782 |
| a | 7.156 ± 0.0014 Å |
| b | 13.963 ± 0.003 Å |
| c | 14.249 ± 0.003 Å |
| α | 90° |
| β | 93.52 ± 0.03° |
| γ | 90° |
| Cell volume | 1421.1 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0631 |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for significantly intense reflections | 0.1453 |
| Weighted residual factors for all reflections included in the refinement | 0.1585 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218832 (current) | 2019-09-25 | cif/ Adding structures of 7234146, 7234147, 7234148 via cif-deposit CGI script. |
7234146.cif |
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Users of the data should acknowledge the original authors of the
structural data.