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Information card for entry 4105580
Preview
Coordinates | 4105580.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H46 F6 O6 Pd2 |
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Calculated formula | C42 H46 F6 O6 Pd2 |
SMILES | [Pd]12([O]=C(C(F)(F)F)O[Pd]3([O]=C(C45CC6CC(C4)CC(C6)C5)c4c3cc(c(c4)C)C)[O]=C(O1)C(F)(F)F)[O]=C(c1cc(c(cc21)C)C)C12CC3CC(C2)CC(C1)C3 |
Title of publication | Palladium-Catalyzed Intermolecular directed C-H Amidation of Aromatic Ketones |
Authors of publication | Bin Xiao; Tian-Jun Gong; Jun Xu; Zhao-Jing Liu; Lei Liu |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 1466 - 1474 |
a | 12.095 ± 0.005 Å |
b | 12.781 ± 0.005 Å |
c | 15.3 ± 0.005 Å |
α | 71.594 ± 0.005° |
β | 86.857 ± 0.005° |
γ | 78.665 ± 0.005° |
Cell volume | 2200.3 ± 1.4 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.12 |
Residual factor for significantly intense reflections | 0.0632 |
Weighted residual factors for significantly intense reflections | 0.1458 |
Weighted residual factors for all reflections included in the refinement | 0.1563 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
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/4105580.html
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Users of the data should acknowledge the original authors of the
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