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Information card for entry 4106977
Preview
Coordinates | 4106977.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C88 H64 Cl2 Ni2 P4 |
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Calculated formula | C88 H64 Cl2 Ni2 P4 |
SMILES | c1(ccccc1)[P]1(c2ccc3ccccc3c2c2c3ccccc3ccc2[P](c2ccccc2)([Ni]21[Cl][Ni]1([P](c3ccccc3)(c3ccccc3)c3ccc4ccccc4c3c3c4ccccc4ccc3[P]1(c1ccccc1)c1ccccc1)[Cl]2)c1ccccc1)c1ccccc1 |
Title of publication | Nickel-Catalyzed Asymmetric α-Arylation and Heteroarylation of Ketones with Chloroarenes: Effect of Halide on Selectivity, Oxidation State, and Room-Temperature Reactions |
Authors of publication | Shaozhong Ge; John F. Hartwig |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 16330 - 16333 |
a | 13.9103 ± 0.0005 Å |
b | 13.9103 ± 0.0005 Å |
c | 35.535 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6875.9 ± 0.7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 96 |
Hermann-Mauguin space group symbol | P 43 21 2 |
Hall space group symbol | P 4nw 2abw |
Residual factor for all reflections | 0.0459 |
Residual factor for significantly intense reflections | 0.0358 |
Weighted residual factors for significantly intense reflections | 0.0777 |
Weighted residual factors for all reflections included in the refinement | 0.0815 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4106977.html
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