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Information card for entry 4031116
Preview
Coordinates | 4031116.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H54 F3 O3 P Pd S |
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Calculated formula | C39 H54 F3 O3 P Pd S |
Title of publication | Generating Active "L-Pd(0)" via Neutral or Cationic π-Allylpalladium Complexes Featuring Biaryl/Bipyrazolylphosphines: Synthetic, Mechanistic, and Structure-Activity Studies in Challenging Cross-Coupling Reactions. |
Authors of publication | DeAngelis, A. J.; Gildner, Peter G.; Chow, Ruishan; Colacot, Thomas J. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2015 |
Journal volume | 80 |
Journal issue | 13 |
Pages of publication | 6794 - 6813 |
a | 17.8856 ± 0.0014 Å |
b | 14.336 ± 0.0011 Å |
c | 31.032 ± 0.003 Å |
α | 90° |
β | 97.703 ± 0.002° |
γ | 90° |
Cell volume | 7885.1 ± 1.2 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0884 |
Residual factor for significantly intense reflections | 0.0484 |
Weighted residual factors for significantly intense reflections | 0.1008 |
Weighted residual factors for all reflections included in the refinement | 0.1186 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4031116.html
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Users of the data should acknowledge the original authors of the
structural data.