Information card for entry 1577231

Structure parameters

• Formula: C33 H25 Cl F N2 O P
• Calculated formula: C31.08 H23.08 Cl F N2 O P
• 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: 10.8724 ± 0.0001 Å
• b: 10.8724 ± 0.0001 Å
• c: 48.5753 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5742.04 ± 0.11 ų
• Cell temperature: 291.8 ± 0.7 K
• Ambient diffraction temperature: 291.8 ± 0.7 K
• Number of distinct elements: 7
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0944
• Residual factor for significantly intense reflections: 0.0924
• Weighted residual factors for significantly intense reflections: 0.2813
• Weighted residual factors for all reflections included in the refinement: 0.286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No