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Information card for entry 1559551
Preview
| Coordinates | 1559551.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | tetraethylammonium bis(2,2,3,3-tetramethyl-2,5-pyrrolidinedionato)bromate(1-) [N(C2H5)4][Br(C8H12NO2)2] |
|---|---|
| Formula | C24 H44 Br N3 O4 |
| Calculated formula | C24 Br N3 O4 |
| SMILES | [Br](N1C(=O)C(C(C1=O)(C)C)(C)C)[N]1C(=O)C(C(C1=O)(C)C)(C)C.[N+](CC)(CC)(CC)CC |
| Title of publication | Organic 'Hypervalent' Bromine Compounds: the Structure of a Linear N-Bromotetramethylsuccinimide-Tetramethylsuccinimidate Complex in the Solid State |
| Authors of publication | Elding, M.; Albertsson, J.; Svensson, G.; Eberson, L. |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1990 |
| Journal volume | 44 |
| Pages of publication | 135 - 138 |
| a | 9.739 ± 0.003 Å |
| b | 25.869 ± 0.005 Å |
| c | 10.942 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2756.7 ± 1.1 Å3 |
| Ambient diffraction temperature | 173 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 significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.069 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.262 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 259248 (current) | 2020-11-25 | cif/ Adding structures of 1559551 via cif-deposit CGI script. |
1559551.cif |
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