Information card for entry 4029570

Structure parameters

• Common name: 3,3-difluoro-4-iodo-2,5-diphenyl-2,3-dihydrofuran
• Chemical name: 3,3-difluoro-4-iodo-2,5-diphenyl-2,3-dihydrofuran
• Formula: C16 H11 F2 I O
• Calculated formula: C16 H11 F2 I O
• Title of publication: Synthesis of 2,4,5-trisubstituted 3-fluorofurans via sequential iodocyclization and cross-coupling of gem-difluorohomopropargyl alcohols.
• Authors of publication: Arimitsu, Satoru; Jacobsen, Jesse M.; Hammond, Gerald B.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2008
• Journal volume: 73
• Journal issue: 7
• Pages of publication: 2886 - 2889
• a: 19.837 ± 0.004 Å
• b: 14.112 ± 0.003 Å
• c: 5.1834 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1451 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No