Information card for entry 7131794

Structure parameters

• Formula: C22 H15 N Se
• Calculated formula: C22 H15 N Se
• SMILES: [Se]1c2ccccc2Nc2c(cccc2)c2cc3ccccc3cc12
• 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: 8.3047 ± 0.0002 Å
• b: 18.4642 ± 0.0006 Å
• c: 21.707 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3328.54 ± 0.17 ų
• Cell temperature: 281 ± 2 K
• Ambient diffraction temperature: 281 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No