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Information card for entry 4516242
Preview
Coordinates | 4516242.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H45 P |
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Calculated formula | C30 H45 P |
SMILES | P1(C(CCCC1(C)C)(C)C)c1ccccc1c1c(cc(cc1C(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 | 30.671 ± 0.004 Å |
b | 10.2786 ± 0.0015 Å |
c | 33.812 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 10659 ± 3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
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 | 0.1106 |
Residual factor for significantly intense reflections | 0.0539 |
Weighted residual factors for significantly intense reflections | 0.1065 |
Weighted residual factors for all reflections included in the refinement | 0.1337 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.956 |
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/4516242.html
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