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Information card for entry 7032047
Preview
| Coordinates | 7032047.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H56 Cl5 N3 O4 Pd |
|---|---|
| Calculated formula | C28 H36 Cl5 N3 O2 Pd |
| SMILES | C1CC[C@@H](C(=O)OC(C)(C)C)N1C(=[Pd](C#[N]c1c(cccc1C)C)(Cl)Cl)Nc1c(cccc1C)C.C(Cl)(Cl)Cl |
| Title of publication | Metal-mediated coupling of amino acid esters with isocyanides leading to new chiral acyclic aminocarbene complexes. |
| Authors of publication | Anisimova, Tatyana B.; Guedes da Silva, M Fátima C; Kukushkin, Vadim Yu; Pombeiro, Armando J. L.; Luzyanin, Konstantin V. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 42 |
| Pages of publication | 15861 - 15871 |
| a | 12.7792 ± 0.0007 Å |
| b | 16.8591 ± 0.0009 Å |
| c | 17.8453 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3844.7 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1128 |
| Residual factor for significantly intense reflections | 0.0659 |
| Weighted residual factors for significantly intense reflections | 0.1555 |
| Weighted residual factors for all reflections included in the refinement | 0.1744 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.957 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180026 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/20. |
7032047.cif |
| 126492 | 2014-11-06 | cif/ Updating files of 7032046, 7032047, 7032048, 7032049, 7032050 Original log message: Adding full bibliography for 7032046--7032050.cif. |
7032047.cif |
| 121949 | 2014-08-15 | cif/ Adding structures of 7032046, 7032047, 7032048, 7032049, 7032050 via cif-deposit CGI script. |
7032047.cif |
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Users of the data should acknowledge the original authors of the
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