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Information card for entry 4517273
Preview
Coordinates | 4517273.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C64 H116 P4 Pd |
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Calculated formula | C64 H116 P4 Pd |
SMILES | [Pd]([P](C(=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1)C)(C1CCCCC1)C1CCCCC1)[P](C(=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1)C)(C1CCCCC1)C1CCCCC1 |
Title of publication | Unraveling the High Activity of Ylide-Functionalized Phosphines in Palladium-Catalyzed Amination Reactions: A Comparative Study with CyJohnPhos and PtBu3 |
Authors of publication | Scharf, Lennart T.; Rodstein, Ilja; Schmidt, Michelle; Scherpf, Thorsten; Gessner, Viktoria H. |
Journal of publication | ACS Catalysis |
Year of publication | 2019 |
Pages of publication | 999 |
a | 11.6891 ± 0.0003 Å |
b | 12.0707 ± 0.0005 Å |
c | 23.6505 ± 0.0005 Å |
α | 80.935 ± 0.002° |
β | 76.32 ± 0.002° |
γ | 70.62 ± 0.003° |
Cell volume | 3047.2 ± 0.17 Å3 |
Cell temperature | 100.4 ± 0.6 K |
Ambient diffraction temperature | 100.4 ± 0.6 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0444 |
Residual factor for significantly intense reflections | 0.0323 |
Weighted residual factors for significantly intense reflections | 0.076 |
Weighted residual factors for all reflections included in the refinement | 0.0835 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4517273.html
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