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Information card for entry 7233925
Preview
| Coordinates | 7233925.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H17 B F2 N2 O |
|---|---|
| Calculated formula | C25 H17 B F2 N2 O |
| SMILES | [B]1([n]2c(C=C(c3ccc(cc3)n3c4ccccc4c4ccccc34)O1)cccc2)(F)F |
| Title of publication | Mechanofluorochromic behaviors of beta-iminoenolate boron complexes functionalized with carbazole |
| Authors of publication | Zhenqi Zhang; Pengchong Xue; Peng Gong; Gonghe Zhang; Jiang Peng; Ran Lu |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2014 |
| Journal volume | 2 |
| Pages of publication | 9543 - 9551 |
| a | 14.306 ± 0.003 Å |
| b | 10.163 ± 0.002 Å |
| c | 13.511 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1964.4 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0446 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.0919 |
| Weighted residual factors for all reflections included in the refinement | 0.0948 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218415 (current) | 2019-09-18 | cif/ Adding structures of 7233925 via cif-deposit CGI script. |
7233925.cif |
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Users of the data should acknowledge the original authors of the
structural data.