Information card for entry 7248179

Structure parameters

• Formula: C20 H15 N3 O
• Calculated formula: C20 H15 N3 O
• Title of publication: Ir(iii)/Ag(i)-catalyzed directly C–H amidation of arenes with OH-free hydroxyamides as amidating agents
• Authors of publication: Zuo, Youpeng; Liu, Meijun; Du, Jun; Zhang, Tianren; Wang, Xiaoqing; Wang, Cong
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 5975 - 5980
• a: 8.0992 ± 0.0004 Å
• b: 20.6903 ± 0.0011 Å
• c: 9.9276 ± 0.0006 Å
• α: 90°
• β: 111.728 ± 0.002°
• γ: 90°
• Cell volume: 1545.42 ± 0.15 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No