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Information card for entry 4516249
Preview
Coordinates | 4516249.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | tBuBrettPhos |
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Formula | C31 H49 O2 P |
Calculated formula | C31 H49 O2 P |
SMILES | P(c1c(OC)ccc(OC)c1c1c(C(C)C)cc(C(C)C)cc1C(C)C)(C(C)(C)C)C(C)(C)C |
Title of publication | Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands |
Authors of publication | Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank |
Journal of publication | ACS Catalysis |
Year of publication | 2019 |
Pages of publication | 11691 |
a | 18.317 ± 0.003 Å |
b | 13.782 ± 0.002 Å |
c | 22.811 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5758.5 ± 1.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0408 |
Residual factor for significantly intense reflections | 0.0328 |
Weighted residual factors for significantly intense reflections | 0.1142 |
Weighted residual factors for all reflections included in the refinement | 0.1255 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
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/4516249.html
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