Information card for entry 4518571

Structure parameters

• Formula: C27 H30 N4 O3
• Calculated formula: C27 H30 N4 O3
• Title of publication: Ruthenium-Catalyzed Radical Cyclization/meta-Selective C‒H Alkylation of Arenes via σ-Activation Strategy
• Authors of publication: Gou, Xue-Ya; Li, Yuke; Luan, Yu-Yong; Shi, Wei-Yu; Wang, Cui-Tian; An, Yang; Zhang, Bo-Sheng; Liang, Yong-Min
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 4263 - 4270
• a: 5.836 ± 0.0007 Å
• b: 10.2615 ± 0.0016 Å
• c: 21.051 ± 0.003 Å
• α: 82.853 ± 0.013°
• β: 85.165 ± 0.012°
• γ: 89.89 ± 0.012°
• Cell volume: 1246.4 ± 0.3 ų
• Cell temperature: 291.51 ± 0.1 K
• Ambient diffraction temperature: 291.51 ± 0.1 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: 0.1103
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.173
• Weighted residual factors for all reflections included in the refinement: 0.1947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No