Information card for entry 7135568

Structure parameters

• Formula: C17 H14 F3 N O
• Calculated formula: C17 H14 F3 N O
• Title of publication: Enantioselective photoredox- and Cu-catalyzed alkoxycyanation of styrenes to synthesize chiral β-cyanoethers.
• Authors of publication: Yu, Xiang; Niu, Mengru; Chen, Huan; Wu, Jiajia; Fang, Fang; Zhai, Xiaoting; Zhang, Guoyu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 22
• Pages of publication: 6132 - 6136
• a: 5.5451 ± 0.0001 Å
• b: 23.8249 ± 0.0008 Å
• c: 32.5396 ± 0.0016 Å
• α: 90°
• β: 90.416 ± 0.002°
• γ: 90°
• Cell volume: 4298.7 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No