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Information card for entry 7112076
Preview
| Coordinates | 7112076.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H45 N3 |
|---|---|
| Calculated formula | C31 H45 N3 |
| SMILES | C1=N(=CC(N1c1c(cccc1C(C)C)C(C)C)=NC(C)(C)C)c1c(cccc1C(C)C)C(C)C |
| Title of publication | 'Janus-type' organopotassium chemistry observed in deprotonation of mesoionic imidazolium aminides and amino N-heterocyclic carbenes: coordination and organometallic polymers |
| Authors of publication | Andreas A. Danopoulos; Pierre Braunstein |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 3055 |
| a | 10.3078 ± 0.0005 Å |
| b | 10.9366 ± 0.0005 Å |
| c | 14.078 ± 0.0007 Å |
| α | 74.936 ± 0.001° |
| β | 78.745 ± 0.001° |
| γ | 74.217 ± 0.001° |
| Cell volume | 1461.44 ± 0.12 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1059 |
| Residual factor for significantly intense reflections | 0.0696 |
| Weighted residual factors for significantly intense reflections | 0.1801 |
| Weighted residual factors for all reflections included in the refinement | 0.2006 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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