Information card for entry 7250419

Structure parameters

• Formula: C14 H12 N2 O
• Calculated formula: C14 H12 N2 O
• Title of publication: Switching between α-alkenylation and α-alkylation of nitriles by coupling multiple electrochemical methods
• Authors of publication: Li, Kai; Li, Tong; Zhang, Yupu; Yang, Hao; Sun, Qi; Wang, Zhiyong
• Journal of publication: Green Chemistry
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 23
• Pages of publication: 6734 - 6740
• a: 9.0084 ± 0.0003 Å
• b: 8.7513 ± 0.0002 Å
• c: 15.7194 ± 0.0004 Å
• α: 90°
• β: 99.743 ± 0.003°
• γ: 90°
• Cell volume: 1221.37 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0495
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No