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Information card for entry 4083648
Preview
| Coordinates | 4083648.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C46 H50 N4 P2 |
|---|---|
| Calculated formula | C46 H50 N4 P2 |
| SMILES | P(N[C@@H]1[C@@H](NP(=Nc2c(cccc2C)C)(c2ccccc2)c2ccccc2)CCCC1)(=Nc1c(cccc1C)C)(c1ccccc1)c1ccccc1.P(N[C@H]1[C@H](NP(=Nc2c(cccc2C)C)(c2ccccc2)c2ccccc2)CCCC1)(=Nc1c(cccc1C)C)(c1ccccc1)c1ccccc1 |
| Title of publication | DACH-Bridged (DACH =trans-1,2-Diaminocyclohexane) Bis(iminophosphonamide) Derivatives of Groups 3 and 13 and Their Use in the Enantiomorphic Polymerization of Methyl Methacrylate |
| Authors of publication | Ahmed, Shabana A.; Hill, Michael S.; Hitchcock, Peter B.; Mansell, Stephen M.; St John, Oliver |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 3 |
| Pages of publication | 538 |
| a | 11.745 ± 0.0003 Å |
| b | 19.6556 ± 0.0006 Å |
| c | 17.8171 ± 0.0006 Å |
| α | 90° |
| β | 106.376 ± 0.002° |
| γ | 90° |
| Cell volume | 3946.3 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1001 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.0994 |
| Weighted residual factors for all reflections included in the refinement | 0.116 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| 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 |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4083648.cif |
| 178725 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/36. |
4083648.cif |
| 117702 | 2014-06-15 | cif/ Adding structures of 4083647, 4083648, 4083649, 4083650, 4083651, 4083652, 4083653 via cif-deposit CGI script. |
4083648.cif |
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Users of the data should acknowledge the original authors of the
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