Information card for entry 7131793

Structure parameters

• Formula: C24 H18 N2 O Se
• Calculated formula: C24 H18 N2 O Se
• SMILES: [Se](c1c(cccc1)c1ccccc1NC(=O)c1ncccc1)c1ccccc1
• Title of publication: Palladium-catalyzed distal selective C-H chalcogenation of biphenyl amines.
• Authors of publication: Zhou, Yunhao; Zheng, Tao; Xu, Yue; Li, Bo; Wang, Yuchi; Mei, Ruhuai; Gu, Linghui; Ma, Wenbo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 53
• Pages of publication: 8262 - 8265
• a: 15.2884 ± 0.001 Å
• b: 12.8941 ± 0.0009 Å
• c: 21.3671 ± 0.0016 Å
• α: 90°
• β: 106.412 ± 0.003°
• γ: 90°
• Cell volume: 4040.5 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• 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: 0.109
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No