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Information card for entry 4069255
Preview
Coordinates | 4069255.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H46 Br2 N4 O2 Pd |
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Calculated formula | C60 H38 Br2 N4 O2 Pd |
SMILES | [Pd]1(Br)(Br)=C2N(c3c(N2Cc2cccc4c2cccc4)cccc3)c2ccc3ccccc3c2c2c3ccccc3ccc2N2C=1N(c1c2cccc1)Cc1cccc2c1cccc2.O=C(OCC)C |
Title of publication | Chiral Bis(NHC)−Palladium(II) Complex Catalyzed and Diethylzinc-Mediated Enantioselective Umpolung Allylation of Aldehydes |
Authors of publication | Wang, Wenfeng; Zhang, Tao; Shi, Min |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 8 |
Pages of publication | 2640 |
a | 10.0949 ± 0.0007 Å |
b | 20.4152 ± 0.0016 Å |
c | 24.5195 ± 0.0019 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5053.2 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0926 |
Residual factor for significantly intense reflections | 0.0654 |
Weighted residual factors for significantly intense reflections | 0.1298 |
Weighted residual factors for all reflections included in the refinement | 0.1412 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.952 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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