Information card for entry 7134038

Structure parameters

• Formula: C25 H19 N
• Calculated formula: C25 H19 N
• Title of publication: Pyridine-Oriented Transannular C-H Functionalization of Arene
• Authors of publication: Hou, Yanchun; Liu, Jianwei; Tian, Yi; Wang, Guangshen; Zhang, Xingcan; Han, Jingpeng; Li, Baosheng
• Journal of publication: Chemical Communications
• Year of publication: 2025
• a: 7.7811 ± 0.0004 Å
• b: 9.7347 ± 0.0004 Å
• c: 13.6565 ± 0.0007 Å
• α: 100.211 ± 0.004°
• β: 100.569 ± 0.004°
• γ: 109.946 ± 0.004°
• Cell volume: 923.13 ± 0.09 ų
• Cell temperature: 302.34 ± 0.1 K
• Ambient diffraction temperature: 302.34 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No