Information card for entry 1540531

Structure parameters

• Formula: C25 H29 Cl N O P Pd
• Calculated formula: C25 H29 Cl N O P Pd
• SMILES: [Pd]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)(Cl)[N](OC)=C(C(C1)(C)C)C
• Title of publication: β-Arylation of oxime ethers using diaryliodonium salts through activation of inert C(sp3)‒H bonds using a palladium catalyst
• Authors of publication: Peng, Jing; Chen, Chao; Xi, Chanjuan
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 2
• Pages of publication: 1383
• a: 16.151 ± 0.003 Å
• b: 9.5824 ± 0.0019 Å
• c: 16.403 ± 0.003 Å
• α: 90°
• β: 111.38 ± 0.03°
• γ: 90°
• Cell volume: 2363.9 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0312
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No