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Information card for entry 7112305
Preview
| Coordinates | 7112305.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H28 Cl F6 N3 Si |
|---|---|
| Calculated formula | C24 H28 Cl F6 N3 Si |
| SMILES | Cl[Si]1([N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C)(N(c1ccccc1)C(=C(F)F)C(F)(F)F)F |
| Title of publication | Metal free and selective activation of one C-F bond in a bound CF3 group. |
| Authors of publication | Azhakar, Ramachandran; Roesky, Herbert W.; Wolf, Hilke; Stalke, Dietmar |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2013 |
| Journal volume | 49 |
| Journal issue | 18 |
| Pages of publication | 1841 - 1843 |
| a | 10.617 ± 0.002 Å |
| b | 16.479 ± 0.003 Å |
| c | 14.578 ± 0.002 Å |
| α | 90° |
| β | 93.59 ± 0.02° |
| γ | 90° |
| Cell volume | 2545.5 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0652 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.0839 |
| Weighted residual factors for all reflections included in the refinement | 0.0904 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7108885 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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