Information card for entry 4514074

Structure parameters

• Formula: C45 H33 Cl2 Co N6 O2
• Calculated formula: C45 H33 Cl2 Co N6 O2
• 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: 12.2327 ± 0.0004 Å
• b: 13.1901 ± 0.0004 Å
• c: 24.1763 ± 0.0008 Å
• α: 90°
• β: 103.838 ± 0.003°
• γ: 90°
• Cell volume: 3787.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No