Information card for entry 7127936

Structure parameters

• Formula: C20 H17 N
• Calculated formula: C20 H17 N
• Title of publication: Palladium-catalyzed diastereoselective cross-coupling of two aryl halides <i>via</i> C-H activation: synthesis of chiral eight-membered nitrogen heterocycles.
• Authors of publication: Cheng, Cang; Zuo, Xiang; Tu, Dongdong; Wan, Bin; Zhang, Yanghui
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 23
• Pages of publication: 2939 - 2942
• a: 16.9144 ± 0.0008 Å
• b: 7.7719 ± 0.0004 Å
• c: 22.6944 ± 0.001 Å
• α: 90°
• β: 107.66 ± 0.001°
• γ: 90°
• Cell volume: 2842.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No