Information card for entry 4514073

Structure parameters

• Formula: C38 H27 N5 O2
• Calculated formula: C38 H27 N5 O2
• SMILES: c1ccc2c(c(ccc2)NC(=O)c2ccccc2N(c2ccccc2)c2c(C(=O)Nc3c4c(cccn4)ccc3)cccc2)n1
• Title of publication: Cobalt-Catalyzed Oxidative C-H/N-H Cross-Coupling: Selective and Facile Access to Triarylamines
• Authors of publication: Du, Cong; Li, Peng-Xiang; Zhu, Xinju; Han, Jiao-Na; Niu, Jun-Long; Song, Mao-Ping
• Journal of publication: ACS Catalysis
• Year of publication: 2017
• a: 17.1283 ± 0.0011 Å
• b: 9.2992 ± 0.0004 Å
• c: 18.9173 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3013.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No