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Information card for entry 4075652
Preview
| Coordinates | 4075652.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H35 F3 O7 P2 Pd S2 |
|---|---|
| Calculated formula | C40 H35 F3 O7 P2 Pd S2 |
| SMILES | [Pd]123([S]=P(C4=C([C@H]5C(=C([P@@]14C(=C5C(=O)OC)C(=O)OC)c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1)[CH2]=[CH]2C3.S(=O)(=O)([O-])C(F)(F)F.[Pd]123([S]=P(C4=C([C@@H]5C(=C([P@]14C(=C5C(=O)OC)C(=O)OC)c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1)[CH2]=[CH]2C3.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | Synthesis of 1-Phosphabarrelene Phosphine Sulfide Substituted Palladium(II) Complexes: Application in the Catalyzed Suzuki Cross-Coupling Process and in the Allylation of Secondary Amines |
| Authors of publication | Piechaczyk, Olivier; Doux, Marjolaine; Ricard, Louis; le Floch, Pascal |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 6 |
| Pages of publication | 1204 |
| a | 9.849 ± 0.001 Å |
| b | 11.222 ± 0.001 Å |
| c | 19.069 ± 0.001 Å |
| α | 92.47 ± 0.001° |
| β | 101.44 ± 0.001° |
| γ | 109.46 ± 0.001° |
| Cell volume | 1934.1 ± 0.3 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.045 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.0911 |
| Weighted residual factors for all reflections included in the refinement | 0.0959 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178645 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/56. |
4075652.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075652.cif |
| 50602 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 4075651, 4075652, 4075653 via cif-deposit CGI script. |
4075652.cif |
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