Information card for entry 7134271

Structure parameters

• Formula: C14 H10 Br F3
• Calculated formula: C14 H10 Br 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: 7.78987 ± 0.00017 Å
• b: 5.88492 ± 0.00015 Å
• c: 13.8221 ± 0.0003 Å
• α: 90°
• β: 101.509 ± 0.002°
• γ: 90°
• Cell volume: 620.9 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1723
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No