Information card for entry 7134272

Structure parameters

• Formula: C16 H13 F3
• Calculated formula: C16 H13 F3
• Title of publication: Building trisubstituted ethylenes from terminal alkenes <i>via</i> debrominative ring-opening trifluoromethylations of geminal dibromocyclopropanes.
• Authors of publication: Liu, Lidong; Guo, Yawen; Shi, Lin; Wang, Yihan; Lei, Xingyu; Jiao, Peng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 27
• Pages of publication: 5170 - 5173
• a: 5.6746 ± 0.001 Å
• b: 17.715 ± 0.0018 Å
• c: 25.651 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2578.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No