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Information card for entry 4078260
Preview
Coordinates | 4078260.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H40 N2 O10 Pd |
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Calculated formula | C24 H40 N2 O10 Pd |
SMILES | C(Cc1cc(c(cc1)OC)OC)[NH2][Pd](OC(=O)C)([NH2]CCc1cc(c(cc1)OC)OC)OC(=O)C.O.O |
Title of publication | Ortho Palladation of the Phenethylamines of Biological Relevancel-Tyrosine Methyl Ester and Homoveratrylamine. Reactivity of the Palladacycles toward CO and Isocyanides. Synthesis of the Natural Alkaloid Corydaldine |
Authors of publication | Oliva-Madrid, María-José; Garc\?ía-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 9 |
Pages of publication | 3647 |
a | 16.5114 ± 0.0007 Å |
b | 5.3548 ± 0.0002 Å |
c | 16.3972 ± 0.0007 Å |
α | 90° |
β | 109.139 ± 0.002° |
γ | 90° |
Cell volume | 1369.63 ± 0.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0327 |
Residual factor for significantly intense reflections | 0.0301 |
Weighted residual factors for significantly intense reflections | 0.0657 |
Weighted residual factors for all reflections included in the refinement | 0.0671 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
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/4078260.html
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