Information card for entry 1575715

Structure parameters

• Formula: C21 H20 F2 N2 O2
• Calculated formula: C21 H20 F2 N2 O2
• Title of publication: An EDA complex-driven multicomponent reaction of Br-R_f with alkenes <i>via</i> radical-polar crossover.
• Authors of publication: Chen, Zhen; Lan, Jin-Xin; Zhang, Shu-Peng; Lu, Shuai-Xiao; Zhang, Yicheng; Yang, Wen-Chao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 83
• Pages of publication: 16286 - 16289
• a: 12.6342 ± 0.0008 Å
• b: 10.2128 ± 0.0005 Å
• c: 15.7401 ± 0.001 Å
• α: 90°
• β: 108.483 ± 0.002°
• γ: 90°
• Cell volume: 1926.2 ± 0.2 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No