Information card for entry 7248428

Structure parameters

• Formula: C31 H26 N4 O2
• Calculated formula: C31 H26 N4 O2
• SMILES: O=C(Nc1ccccc1)c1c(nc(OC)nc1C)c1nc(c2c(c3ccccc3)cccc2C)ccc1
• 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: 30.8184 ± 0.0004 Å
• b: 8.96166 ± 0.00012 Å
• c: 18.6116 ± 0.0002 Å
• α: 90°
• β: 94.5518 ± 0.0012°
• γ: 90°
• Cell volume: 5124.01 ± 0.11 ų
• Cell temperature: 179.98 ± 0.1 K
• Ambient diffraction temperature: 179.98 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0443
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No