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Information card for entry 4066967
Preview
Coordinates | 4066967.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H42 Cl2 N2 Pd |
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Calculated formula | C36 H42 Cl2 N2 Pd |
SMILES | [Pd]([NH2]C(Cc1c(cccc1)/C=C/c1ccccc1)(C)C)([NH2]C(Cc1c(cccc1)/C=C/c1ccccc1)(C)C)(Cl)Cl |
Title of publication | Eight-Membered Palladacycles Derived from the Insertion of Olefins into the Pd−C Bond of Ortho-Palladated Pharmaceuticals Phenethylamine and Phentermine. Synthesis of Stable Heck-Type Intermediates Containing Accessible β-Hydrogens and Its Use in the Synthesis of 2-Styrylphenethylamines, Tetrahydroisoquinolines, and Eight-Membered Cyclic Amidines† |
Authors of publication | Vicente, José; Saura-Llamas, Isabel; García-López, José-Antonio; Bautista, Delia |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 19 |
Pages of publication | 4320 |
a | 6.0466 ± 0.0005 Å |
b | 10.1257 ± 0.0008 Å |
c | 13.918 ± 0.0011 Å |
α | 101.558 ± 0.002° |
β | 96.832 ± 0.002° |
γ | 104.834 ± 0.002° |
Cell volume | 793.89 ± 0.11 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0282 |
Residual factor for significantly intense reflections | 0.0271 |
Weighted residual factors for significantly intense reflections | 0.0649 |
Weighted residual factors for all reflections included in the refinement | 0.0657 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4066967.html
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