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Information card for entry 4069585
Preview
Coordinates | 4069585.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H27 Br N2 O2 Pd |
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Calculated formula | C19 H27 Br N2 O2 Pd |
SMILES | [Pd]123(C(=C([C]3(=[C]2(c2cc(N(=O)=O)ccc2C[NH2]1)CC)CC)CC)CC)Br |
Title of publication | Insertion of One, Two, and Three Molecules of Alkyne into the Pd−C Bond of Ortho-palladated Primary and Secondary Arylalkylamines |
Authors of publication | Vicente, José; Saura-Llamas, Isabel; Turpín, Juana; Bautista, Delia; de Arellano, Carmen Ramírez; Jones, Peter G. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 14 |
Pages of publication | 4175 |
a | 9.9636 ± 0.0005 Å |
b | 9.2661 ± 0.0009 Å |
c | 22.0259 ± 0.0011 Å |
α | 90° |
β | 95.936 ± 0.003° |
γ | 90° |
Cell volume | 2022.6 ± 0.2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0412 |
Residual factor for significantly intense reflections | 0.0272 |
Weighted residual factors for significantly intense reflections | 0.0542 |
Weighted residual factors for all reflections included in the refinement | 0.0589 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
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/4069585.html
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