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Information card for entry 7108886
Preview
| Coordinates | 7108886.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H45 F6 N3 Si |
|---|---|
| Calculated formula | C38 H45 F6 N3 Si |
| Title of publication | Metal free and selective activation of one C-F bond in a bound CF3 group |
| Authors of publication | Ramachandran Azhakar; Herbert W. Roesky; Hilke Wolf; Dietmar Stalke |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2013 |
| Journal volume | 49 |
| Journal issue | 18 |
| Pages of publication | 1841 - 1843 |
| a | 16.937 ± 0.006 Å |
| b | 20.574 ± 0.006 Å |
| c | 10.082 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3513 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0548 |
| Residual factor for significantly intense reflections | 0.0388 |
| Weighted residual factors for significantly intense reflections | 0.0902 |
| Weighted residual factors for all reflections included in the refinement | 0.0971 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.