Information card for entry 4519295

Structure parameters

• Formula: C26 H20 N2 O
• Calculated formula: C26 H20 N2 O
• SMILES: c1(ccccc1)C1(c2ccccc2)c2c(ccc(c2)C)N=C(c2ccccn2)O1
• Title of publication: Cobalt(II)-Catalyzed Activation of C(sp3)–H Bonds: Organic Oxidant Enabled Selective Functionalization
• Authors of publication: Zhang, He; Sun, Meng-Chan; Yang, Dandan; Li, Tong; Song, Mao-Ping; Niu, Jun-Long
• Journal of publication: ACS Catalysis
• Year of publication: 2022
• Pages of publication: 1650 - 1656
• a: 30.4714 ± 0.0006 Å
• b: 7.81348 ± 0.00013 Å
• c: 16.8852 ± 0.0003 Å
• α: 90°
• β: 96.0459 ± 0.0016°
• γ: 90°
• Cell volume: 3997.8 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0535
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No