Information card for entry 7135628

Structure parameters

• Formula: C17 H11 F3 N2
• Calculated formula: C17 H11 F3 N2
• Title of publication: Silver-catalyzed fragmentation of all-carbon quaternary centers from sp³ to sp² carbon <i>via</i> C-C bond cleavage.
• Authors of publication: Chen, Shu-Jie; Dong, Bao-Le; Li, You-Hong; Xu, Bo; Chen, Shu-Lian; Chen, Guo-Shu; Liu, Yun-Lin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 27
• Pages of publication: 7127 - 7131
• a: 9.1862 ± 0.0004 Å
• b: 22.9415 ± 0.0007 Å
• c: 7.2169 ± 0.0002 Å
• α: 90°
• β: 113.012 ± 0.004°
• γ: 90°
• Cell volume: 1399.9 ± 0.09 ų
• Cell temperature: 288 ± 11 K
• Ambient diffraction temperature: 288 ± 11 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.2039
• Weighted residual factors for all reflections included in the refinement: 0.2058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No