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Information card for entry 7112061
Preview
| Coordinates | 7112061.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H34 Cl3 N O2 P S |
|---|---|
| Calculated formula | C41 H34 Cl3 N O2 P S |
| Title of publication | Rational design of sulfoxide-phosphine ligands for Pd-catalyzed enantioselective allylic alkylation reactions |
| Authors of publication | Hong-Gang Cheng; Bin Feng; Li-Yan Chen; Wei Guo; Xiao-Ye Yu; Liang-Qiu Lu; Jia-Rong Chen; Wen-Jing Xiao |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 2873 |
| a | 11.247 ± 0.003 Å |
| b | 17.258 ± 0.004 Å |
| c | 19.487 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3782.4 ± 1.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1056 |
| Residual factor for significantly intense reflections | 0.0603 |
| Weighted residual factors for significantly intense reflections | 0.1385 |
| Weighted residual factors for all reflections included in the refinement | 0.1627 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.