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Information card for entry 7227516
Preview
| Coordinates | 7227516.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 22 |
|---|---|
| Formula | C24 H22 B F2 N3 O S |
| Calculated formula | C24 H22 B F2 N3 O S |
| SMILES | s1c(/C=C(c2ccc(cc2)[N]2=Cc3c(cc(cc3)N(CC)CC)O[B]2(F)F)\C#N)ccc1 |
| Title of publication | Multi-stimuli-responsive fluorescence of a highly emissive difluoroboron complex in both solution and solid states |
| Authors of publication | Fang, Wenyan; Zhang, Yuyang; Zhang, Gaobin; Kong, Lin; Yang, Longmei; Yang, Jiaxiang |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 9 |
| Pages of publication | 1294 |
| a | 6.5 ± 0.007 Å |
| b | 26.53 ± 0.03 Å |
| c | 12.8 ± 0.013 Å |
| α | 90° |
| β | 104.287 ± 0.014° |
| γ | 90° |
| Cell volume | 2139 ± 4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1108 |
| Residual factor for significantly intense reflections | 0.0766 |
| Weighted residual factors for significantly intense reflections | 0.2161 |
| Weighted residual factors for all reflections included in the refinement | 0.2566 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.977 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7227516.cif |
| 193770 | 2017-03-05 | cif/ Updating files of 7227515, 7227516 Original log message: Adding full bibliography for 7227515--7227516.cif. |
7227516.cif |
| 190895 | 2017-01-25 | cif/ Adding structures of 7227515, 7227516 via cif-deposit CGI script. |
7227516.cif |
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Users of the data should acknowledge the original authors of the
structural data.