Information card for entry 7131000

Structure parameters

• Formula: C24 H26 N2 O3 S
• Calculated formula: C24 H26 N2 O3 S
• Title of publication: Palladium-catalyzed Interannular C-H Amination of Biaryl Amines
• Authors of publication: Wu, Jiaping; Sun, Peng-Peng; Hong, Yuwen; Yang, Haitao; Xie, Meihua; Zhang, Jitan
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 9.546 ± 0.0006 Å
• b: 9.1361 ± 0.0005 Å
• c: 29.2032 ± 0.0017 Å
• α: 90°
• β: 93.827 ± 0.002°
• γ: 90°
• Cell volume: 2541.2 ± 0.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 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: 0.0948
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No