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Information card for entry 1556505
Preview
| Coordinates | 1556505.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | lithio 2-(2,6-diisopropylphenylamino)-3-methylpent-2-en-4-one dimer thf adduct |
|---|---|
| Formula | C44 H68 Li2 N2 O4 |
| Calculated formula | C44 H68 Li2 N2 O4 |
| Title of publication | Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations |
| Authors of publication | Gietz, T.; Boere, R.T. |
| Journal of publication | Inorganics |
| Year of publication | 2017 |
| Journal volume | 5 |
| Pages of publication | 30 |
| a | 20.843 ± 0.005 Å |
| b | 10.495 ± 0.002 Å |
| c | 21.365 ± 0.005 Å |
| α | 90° |
| β | 112.886 ± 0.002° |
| γ | 90° |
| Cell volume | 4305.6 ± 1.7 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0589 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.1184 |
| Weighted residual factors for all reflections included in the refinement | 0.1285 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244994 (current) | 2019-12-11 | cif/ Adding structures of 1556499, 1556500, 1556501, 1556502, 1556503, 1556504, 1556505, 1556506, 1556507, 1556508 via cif-deposit CGI script. |
1556505.cif |
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Users of the data should acknowledge the original authors of the
structural data.