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Information card for entry 4081210
Preview
Coordinates | 4081210.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H17 Cl2 F4 O P Pd |
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Calculated formula | C27 H17 Cl2 F4 O P Pd |
SMILES | [Pd]12(Cl)(Cl)[P](c3c(F)c(F)c(F)c(F)c3[CH]1=[CH]2C(=O)c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Phosphines with Tethered Electron-Withdrawing Olefins as Ligands for Efficient Pd-Catalyzed Aryl-Alkyl Coupling |
Authors of publication | Gioria, Estefanía; Martínez-Ilarduya, Jesús M.; García-Cuadrado, Domingo; Miguel, Jesús A.; Genov, Miroslav; Espinet, Pablo |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 15 |
Pages of publication | 4255 |
a | 14.6534 ± 0.0006 Å |
b | 12.7998 ± 0.0003 Å |
c | 14.6608 ± 0.0006 Å |
α | 90° |
β | 118.328 ± 0.005° |
γ | 90° |
Cell volume | 2420.49 ± 0.19 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
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 | 0.046 |
Residual factor for significantly intense reflections | 0.0319 |
Weighted residual factors for significantly intense reflections | 0.0669 |
Weighted residual factors for all reflections included in the refinement | 0.0707 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4081210.html
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