Information card for entry 7160784

Structure parameters

• Formula: C2 H1.86 F0.43 N0.29 O0.14
• Calculated formula: C2 H1.85714 F0.428571 N0.285714 O0.142857
• Title of publication: Selective electrochemical trifluoromethylation of arylamide- or aryl-substituted pyrrole derivatives.
• Authors of publication: Zhang, Zhanshuo; Dong, Yangkai; Liu, Yaxin; Fang, Jingrui; Li, Yuchen; Xu, Zeya; Zhao, Yulei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 42
• Pages of publication: 9713 - 9721
• a: 7.3506 ± 0.0011 Å
• b: 9.0318 ± 0.0012 Å
• c: 11.0779 ± 0.0017 Å
• α: 77.137 ± 0.004°
• β: 72.363 ± 0.004°
• γ: 83.642 ± 0.004°
• Cell volume: 682.55 ± 0.17 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No