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Information card for entry 7234635
Preview
| Coordinates | 7234635.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H19 B F2 N2 O |
|---|---|
| Calculated formula | C25 H19 B F2 N2 O |
| SMILES | [B]1(F)(F)[n]2ccccc2C=C(c2ccc(cc2)N(c2ccccc2)c2ccccc2)O1 |
| Title of publication | beta-Iminoenolate boron complex with terminal triphenylamine exhibiting polymorphism and mechanofluorochromism |
| Authors of publication | Zhenqi Zhang; Zhu Wu; Jingbo Sun; Boqi Yao; Pengchong Xue; Ran Lu |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2016 |
| Journal volume | 4 |
| Pages of publication | 2854 - 2861 |
| a | 6.5345 ± 0.0013 Å |
| b | 13.047 ± 0.003 Å |
| c | 24.3 ± 0.005 Å |
| α | 90° |
| β | 95.76 ± 0.03° |
| γ | 90° |
| Cell volume | 2061.3 ± 0.8 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0691 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.1088 |
| Weighted residual factors for all reflections included in the refinement | 0.1204 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219362 (current) | 2019-10-15 | cif/ Adding structures of 7234635 via cif-deposit CGI script. |
7234635.cif |
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Users of the data should acknowledge the original authors of the
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