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Information card for entry 4105581
Preview
Coordinates | 4105581.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H86 Cl8 F6 N8 O22 Pd2 S10 |
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Calculated formula | C66 H86 Cl8 F6 N8 O22 Pd2 S10 |
SMILES | c1(ccc(cc1)C)S(=O)(=O)[NH]1[Pd]([NH2]S(=O)(=O)c2ccc(cc2)C)([NH2]S(=O)(=O)c2ccc(cc2)C)[NH](S(=O)(=O)c2ccc(cc2)C)[Pd]1([NH2]S(=O)(=O)c1ccc(cc1)C)[NH2]S(=O)(=O)c1ccc(cc1)C.FC(F)(S(=O)(=O)[O-])F.NS(=O)(=O)c1ccc(cc1)C.ClCCCl.ClCCCl.FC(F)(F)S(=O)(=O)[O-].NS(=O)(=O)c1ccc(cc1)C.C(CCl)Cl.C(CCl)Cl |
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 | 11.0983 ± 0.0006 Å |
b | 13.4473 ± 0.0008 Å |
c | 15.9684 ± 0.0006 Å |
α | 96.267 ± 0.004° |
β | 99.984 ± 0.004° |
γ | 98.252 ± 0.005° |
Cell volume | 2300.7 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1377 |
Residual factor for significantly intense reflections | 0.1054 |
Weighted residual factors for significantly intense reflections | 0.3295 |
Weighted residual factors for all reflections included in the refinement | 0.3411 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4105581.html
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