Information card for entry 7160398

Structure parameters

• Formula: C11 H13 F2 I O2
• Calculated formula: C11 H13 F2 I O2
• Title of publication: I₂-mediated convenient ring-opening of simple <i>gem</i>-difluorocyclopropanes.
• Authors of publication: Goto, Toshihito; Shirai, Sakuya; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Yamazaki, Takashi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 13
• Pages of publication: 3163 - 3170
• a: 8.0439 ± 0.0015 Å
• b: 6.928 ± 0.0013 Å
• c: 11.632 ± 0.003 Å
• α: 90°
• β: 100.98 ± 0.02°
• γ: 90°
• Cell volume: 636.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No