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Information card for entry 4080475
Preview
Coordinates | 4080475.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H28 I N3 O Pd |
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Calculated formula | C16 H28 I N3 O Pd |
SMILES | [Pd]1(I)([N](C)(C)CC[N]1(C)C)c1c(cccc1)CCC(=O)NC |
Title of publication | Synthesis and Reactivity of Ortho-Palladated 3-Phenylpropanamides. Insertion of CO, XyNC, and Alkynes into the Pd‒C Bond. Synthesis of Seven- and Nine-Membered Palladacycles and Benzazepine- and Benzazonine-Based Heterocycles |
Authors of publication | Frutos-Pedreño, Roberto; González-Herrero, Pablo; Vicente, José; Jones, Peter G. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 6 |
Pages of publication | 1892 |
a | 13.817 ± 0.0004 Å |
b | 11.4064 ± 0.0004 Å |
c | 12.304 ± 0.0004 Å |
α | 90° |
β | 108.468 ± 0.004° |
γ | 90° |
Cell volume | 1839.27 ± 0.11 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0221 |
Residual factor for significantly intense reflections | 0.0195 |
Weighted residual factors for significantly intense reflections | 0.0433 |
Weighted residual factors for all reflections included in the refinement | 0.0445 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
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/4080475.html
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Users of the data should acknowledge the original authors of the
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