Information card for entry 7250296

Structure parameters

• Formula: C20 H17 F3 N2 O4
• Calculated formula: C20 H17 F3 N2 O4
• Title of publication: Synthesis of fluorinated 3-aminobenzofurans via a tandem SNAr-cyclocondensation strategy
• Authors of publication: Tawell, Hugh W.; Robinson, William; Li, Yuqi; Tizzard, Graham J.; Coles, Simon J.; Bhambra, Avninder S.; Edgar, Mark; Weaver, George W.
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 16
• Pages of publication: 12843 - 12853
• a: 7.2308 ± 0.0001 Å
• b: 10.2533 ± 0.0001 Å
• c: 12.8367 ± 0.0002 Å
• α: 73.334 ± 0.001°
• β: 76.375 ± 0.002°
• γ: 73.236 ± 0.001°
• Cell volume: 860.78 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No