Information card for entry 1515814

Structure parameters

• Formula: C24 H20 F6 N2 O6 Pd2
• Calculated formula: C24 H20 F6 N2 O6 Pd2
• SMILES: FC(C1=[O][Pd]23([Pd]4(O1)([O]=C1CCCN1c1ccccc41)OC(=[O]2)C(F)(F)F)[O]=C1CCCN1c1ccccc31)(F)F
• 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: 27.0838 ± 0.0008 Å
• b: 16.8253 ± 0.0006 Å
• c: 14.3465 ± 0.0004 Å
• α: 90°
• β: 121.236 ± 0.0015°
• γ: 90°
• Cell volume: 5589.9 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0928
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No