Information card for entry 1577232

Structure parameters

• Formula: C26 H20 F N3 O
• Calculated formula: C26 H20 F N3 O
• Title of publication: A Unified Cobalt-Electrocatalytic Platform for Enantio- and Stereo-selective C−H and C−F Functionalization of gem-Difluoromethylene Allenes
• Authors of publication: Jiating, Cai; Gao, Xinyu; Wang, Chuitian; Li, Yang; Tong, Xiaoxin; Li, Linzai; Qin, Shi; Yang, Mingkai; Li, Qixin; Wei, Wei; Ma, Lei; Wang, Mei; Liao, Si-Yan; Huang, Yugang; Zhao, Xin; Wang, Shengdong; Zhou, Zhi; Gao, Hui; Yi, Wei; Zeng, Zhongyi
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 5.0331 ± 0.00013 Å
• b: 15.5907 ± 0.0003 Å
• c: 25.3876 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1992.15 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No