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Information card for entry 7112079
Preview
| Coordinates | 7112079.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H56 K N3 O |
|---|---|
| Calculated formula | C41 H56 K N3 O |
| SMILES | [C]1N(C=C(N1c1c(cccc1C(C)C)C(C)C)N(c1ccc(cc1)C(C)(C)C)[K][O]1CCCC1)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 | 15.3219 ± 0.0005 Å |
| b | 14.8804 ± 0.0004 Å |
| c | 21.081 ± 0.0005 Å |
| α | 90° |
| β | 126.43 ± 0.002° |
| γ | 90° |
| Cell volume | 3867.1 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1105 |
| Residual factor for significantly intense reflections | 0.0721 |
| Weighted residual factors for significantly intense reflections | 0.1891 |
| Weighted residual factors for all reflections included in the refinement | 0.2155 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7112079.cif |
| 180234 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/20. |
7112079.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7112079.cif |
| 104430 | 2014-03-11 | cif/ Adding structures of 7112075, 7112076, 7112077, 7112078, 7112079, 7112080, 7112081 via cif-deposit CGI script. |
7112079.cif |
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Users of the data should acknowledge the original authors of the
structural data.