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Information card for entry 4028899
Preview
Coordinates | 4028899.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H31 Cl2 O2 P Pd S |
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Calculated formula | C26 H31 Cl2 O2 P Pd S |
SMILES | [Pd]1(Cl)([P](O[C@H]([C@H]([S]1C(C)(C)C)c1ccccc1)COC)(c1ccccc1)c1ccccc1)Cl |
Title of publication | Phosphinite Thioethers Derived from Chiral Epoxides. ModularP,S-Ligands for Pd-Catalyzed Asymmetric Allylic Substitutions |
Authors of publication | Caldentey, Xisco; Pericàs, Miquel A. |
Journal of publication | The Journal of Organic Chemistry |
Year of publication | 2010 |
Journal volume | 75 |
Journal issue | 8 |
Pages of publication | 2628 - 2644 |
a | 10.6012 ± 0.0005 Å |
b | 12.3725 ± 0.0005 Å |
c | 12.9208 ± 0.0006 Å |
α | 67.756 ± 0.001° |
β | 65.93 ± 0.001° |
γ | 65.849 ± 0.001° |
Cell volume | 1365.6 ± 0.11 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0243 |
Residual factor for significantly intense reflections | 0.023 |
Weighted residual factors for significantly intense reflections | 0.0554 |
Weighted residual factors for all reflections included in the refinement | 0.0561 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Duplicate of | 4025364 |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4028899.html
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