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Information card for entry 4514682
Preview
Coordinates | 4514682.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H24 N2 O4 Pd |
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Calculated formula | C14 H24 N2 O4 Pd |
SMILES | C1C(=O)O[Pd]2([N]=1C(C)(C)CC)[N](=CC(=O)O2)C(C)(C)CC |
Title of publication | Mechanism of the Palladium-Catalyzed C(sp3)‒H Arylation of Aliphatic Amines: Unraveling the Crucial Role of Silver(I) Additives |
Authors of publication | Feng, Wenhui; Wang, Tianyang; Liu, Dongzhi; Wang, Xiaotai; Dang, Yanfeng |
Journal of publication | ACS Catalysis |
Year of publication | 2019 |
Journal volume | 9 |
Journal issue | 8 |
Pages of publication | 6672 |
a | 9.3121 ± 0.0004 Å |
b | 10.7025 ± 0.0005 Å |
c | 8.4772 ± 0.0004 Å |
α | 90° |
β | 97.201 ± 0.004° |
γ | 90° |
Cell volume | 838.2 ± 0.07 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0591 |
Residual factor for significantly intense reflections | 0.0576 |
Weighted residual factors for significantly intense reflections | 0.1638 |
Weighted residual factors for all reflections included in the refinement | 0.168 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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