Information card for entry 1515813

Structure parameters

• Formula: C29 H34 Cl2 F6 N2 O6 Pd2
• Calculated formula: C29 H34 Cl2 F6 N2 O6 Pd2
• SMILES: [Pd]12([O]=C(C(F)(F)F)O[Pd]3([O]=C(Nc4cc(ccc34)C)C(C)(C)C)[O]=C(O2)C(F)(F)F)[O]=C(Nc2cc(ccc12)C)C(C)(C)C.C(Cl)Cl
• Title of publication: Pd-catalyzed ortho-arylation of phenylacetamides, benzamides, and anilides with simple arenes using sodium persulfate
• Authors of publication: Yeung, Charles S.; Zhao, Xiaodan; Borduas, Nadine; Dong, Vy M.
• Journal of publication: Chemical Science
• Year of publication: 2010
• Journal volume: 1
• Journal issue: 3
• Pages of publication: 331
• a: 33.636 ± 0.0003 Å
• b: 11.4193 ± 0.0005 Å
• c: 18.0125 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6918.6 ± 0.5 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No