Information card for entry 7248423

Structure parameters

• Formula: C46 H40 N4 O4
• Calculated formula: C46 H40 N4 O4
• Title of publication: LED-induced Ru-photoredox Pd-catalyzed C–H arylation of (6-phenylpyridin-2-yl)pyrimidines and heteroaryl counterparts
• Authors of publication: Antoniou, Ioakeim M.; Ioannou, Natalia; Panagiotou, Nikos; Georgiades, Savvas N.
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 12179 - 12191
• a: 10.1753 ± 0.0002 Å
• b: 10.828 ± 0.0002 Å
• c: 18.8802 ± 0.0003 Å
• α: 102.097 ± 0.002°
• β: 99.993 ± 0.002°
• γ: 106.014 ± 0.002°
• Cell volume: 1894.91 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 180.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No