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Information card for entry 4338548
Preview
| Coordinates | 4338548.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H44 Cl3 N O4 P2 Pd |
|---|---|
| Calculated formula | C39 H44 Cl3 N O4 P2 Pd |
| SMILES | [Pd]12(c3ccc4ccccc4c3[C@@H](C)[N]1(C)C)[P](c1ccccc1)(c1ccccc1)[C@H](C)C[P@]2(/C=C\C)c1ccccc1.C(Cl)Cl.Cl(=O)(=O)(=O)[O-] |
| Title of publication | Asymmetric Synthesis of Diphosphine Ligands Containing Phosphorus and Carbon Stereogenic Centers by Means of a Chiral Palladium Complex Promoted Hydrophosphination Reaction |
| Authors of publication | Zhang, Yi; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Journal issue | 12 |
| Pages of publication | 5535 - 5539 |
| a | 9.3975 ± 0.0005 Å |
| b | 9.8036 ± 0.0006 Å |
| c | 20.7827 ± 0.0011 Å |
| α | 90° |
| β | 92.841 ± 0.003° |
| γ | 90° |
| Cell volume | 1912.34 ± 0.19 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0485 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.0928 |
| Weighted residual factors for all reflections included in the refinement | 0.1037 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210020 (current) | 2018-08-21 | cif/4/ Updating bibliography in entries 4302377-4302378, 4338548-4338549. Marking entries 4302377-4302378 as duplicates of entries 4338548-4338549. |
4338548.cif |
| 179488 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/85. |
4338548.cif |
| 114742 | 2014-05-29 | cif/ Adding structures of 4338548, 4338549 via cif-deposit CGI script. |
4338548.cif |
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Users of the data should acknowledge the original authors of the
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