Information card for entry 4517502

Structure parameters

• Formula: C20 H37 Cl3 N P Pd
• Calculated formula: C20 H37 Cl3 N P Pd
• Title of publication: Enolizable Ketones as Activators of Palladium(II) Precatalysts in Amine Arylation Reactions
• Authors of publication: Hu, Huaiyuan; Gilliam, Ashley M.; Qu, Fengrui; Shaughnessy, Kevin H.
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 7
• Pages of publication: 4127 - 4135
• a: 17.846 ± 0.0003 Å
• b: 15.0741 ± 0.0002 Å
• c: 18.2288 ± 0.0003 Å
• α: 90°
• β: 94.492 ± 0.001°
• γ: 90°
• Cell volume: 4888.71 ± 0.13 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0176
• Residual factor for significantly intense reflections: 0.016
• Weighted residual factors for significantly intense reflections: 0.0393
• Weighted residual factors for all reflections included in the refinement: 0.0398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0368
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No