Information card for entry 7134039

Structure parameters

• Formula: C23 H17 N
• Calculated formula: C23 H17 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: 9.7021 ± 0.0001 Å
• b: 7.2233 ± 0.0001 Å
• c: 23.9872 ± 0.0003 Å
• α: 90°
• β: 94.761 ± 0.001°
• γ: 90°
• Cell volume: 1675.25 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0387
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No