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Information card for entry 4079232
Preview
Coordinates | 4079232.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H27 Br N2 O3 Pd |
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Calculated formula | C20 H27 Br N2 O3 Pd |
SMILES | [Pd]1([NH2]CCc2c(CC1C(=O)C)cc(c(c2)OC)OC)([n]1ccc(cc1)C)Br |
Title of publication | Reactivity toward CO of Eight-Membered Palladacycles Derived from the Insertion of Alkenes into the Pd‒C Bond of Cyclopalladated Primary Arylalkylamines of Pharmaceutical Interest. Synthesis of Tetrahydrobenzazocinones, Ortho-Functionalized Phenethylamines, Ureas, and an Isocyanate |
Authors of publication | García-López, José-Antonio; Oliva-Madrid, María-José; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 17 |
Pages of publication | 6351 |
a | 17.1033 ± 0.0015 Å |
b | 7.55022 ± 0.00017 Å |
c | 24.464 ± 0.002 Å |
α | 90° |
β | 138.854 ± 0.017° |
γ | 90° |
Cell volume | 2078.6 ± 0.8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0571 |
Residual factor for significantly intense reflections | 0.0399 |
Weighted residual factors for significantly intense reflections | 0.0724 |
Weighted residual factors for all reflections included in the refinement | 0.0797 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
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/4079232.html
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