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Information card for entry 4108478
Preview
Coordinates | 4108478.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H58 Br O2 P Pd |
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Calculated formula | C41 H58 Br O2 P Pd |
SMILES | [Pd]1([P](c2c(ccc(c2[C]21=C(C=C(C=C2C(C)C)C(C)C)C(C)C)OC)OC)(C1CCCCC1)C1CCCCC1)(Br)c1ccccc1 |
Title of publication | A Highly Active Catalyst for Pd-Catalyzed Amination Reactions: Cross-Coupling Reactions Using Aryl Mesylates and the Highly Selective Monoarylation of Primary Amines Using Aryl Chlorides |
Authors of publication | Brett P. Fors; Donald A. Watson; Mark R. Biscoe; Stephen L. Buchwald |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 13552 - 13554 |
a | 11.4784 ± 0.0007 Å |
b | 11.8832 ± 0.0007 Å |
c | 18.3144 ± 0.0011 Å |
α | 100.107 ± 0.001° |
β | 102.739 ± 0.001° |
γ | 107.582 ± 0.001° |
Cell volume | 2242.7 ± 0.2 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0735 |
Residual factor for significantly intense reflections | 0.0543 |
Weighted residual factors for significantly intense reflections | 0.1795 |
Weighted residual factors for all reflections included in the refinement | 0.1952 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4108478.html
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