Information card for entry 7248429

Structure parameters

• Formula: C80 H74 N8 O11
• Calculated formula: C80 H74 N8 O11
• 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: 11.6496 ± 0.0002 Å
• b: 14.1847 ± 0.0002 Å
• c: 22.6036 ± 0.0003 Å
• α: 105.402 ± 0.001°
• β: 90.354 ± 0.001°
• γ: 107.05 ± 0.002°
• Cell volume: 3428.4 ± 0.1 ų
• Cell temperature: 179.97 ± 0.14 K
• Ambient diffraction temperature: 179.97 ± 0.14 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: 0.0437
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No