Information card for entry 7131792

Structure parameters

• Formula: C24 H17 Cl N2 O Se
• Calculated formula: C24 H17 Cl N2 O Se
• 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: 20.765 ± 0.005 Å
• b: 14.171 ± 0.003 Å
• c: 15.154 ± 0.004 Å
• α: 90°
• β: 109.346 ± 0.008°
• γ: 90°
• Cell volume: 4207.4 ± 1.8 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 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: 0.0588
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No