Information card for entry 4081288

Structure parameters

• Formula: C24 H17 F3 N2 O2 Pd
• Calculated formula: C24 H17 F3 N2 O2 Pd
• Title of publication: Electrochemical Ortho Functionalization of 2-Phenylpyridine with Perfluorocarboxylic Acids Catalyzed by Palladium in Higher Oxidation States
• Authors of publication: Dudkina, Yulia B.; Mikhaylov, Dmitry Y.; Gryaznova, Tatyana V.; Tufatullin, Artem I.; Kataeva, Olga N.; Vicic, David A.; Budnikova, Yulia H.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 17
• Pages of publication: 4785
• a: 10.078 ± 0.001 Å
• b: 14.934 ± 0.002 Å
• c: 16.293 ± 0.002 Å
• α: 113.371 ± 0.001°
• β: 99.269 ± 0.002°
• γ: 104.559 ± 0.002°
• Cell volume: 2082.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No