Information card for entry 7134273

Structure parameters

• Formula: C5 H8 F3 N O2 S
• Calculated formula: C5 H8 F3 N O2 S
• 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: 9.4692 ± 0.0003 Å
• b: 9.0363 ± 0.0002 Å
• c: 10.229 ± 0.0003 Å
• α: 90°
• β: 108.996 ± 0.003°
• γ: 90°
• Cell volume: 827.59 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0394
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No