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Information card for entry 4518905
Preview
Coordinates | 4518905.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H30 Cl2 Pd2 S2 |
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Calculated formula | C22 H30 Cl2 Pd2 S2 |
Title of publication | Mechanistic Study of Enantioselective Pd-Catalyzed C(sp3)‒H Activation of Thioethers Involving Two Distinct Stereomodels |
Authors of publication | Saint-Denis, Tyler G.; Lam, Nelson Y. S.; Chekshin, Nikita; Richardson, Paul F.; Chen, Jason S.; Elleraas, Jeff; Hesp, Kevin D.; Schmitt, Daniel C.; Lian, Yajing; Huh, Chan Woo; Yu, Jin-Quan |
Journal of publication | ACS Catalysis |
Year of publication | 2021 |
Pages of publication | 9738 - 9753 |
a | 9.3857 ± 0.0009 Å |
b | 9.9771 ± 0.0009 Å |
c | 13.2225 ± 0.0012 Å |
α | 90° |
β | 100.721 ± 0.002° |
γ | 90° |
Cell volume | 1216.57 ± 0.19 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100.15 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0347 |
Residual factor for significantly intense reflections | 0.0268 |
Weighted residual factors for significantly intense reflections | 0.0649 |
Weighted residual factors for all reflections included in the refinement | 0.0685 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4518905.html
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