Information card for entry 1571584

Structure parameters

• Formula: C28 H31 F3 O
• Calculated formula: C28 H31 F3 O
• Title of publication: Visible Light-Driven Dearomative Ring Expansion of (Aza)arenes to Access Dihydrofuran-based Polycyclic Compounds
• Authors of publication: Zhang, Linghong; You, Mengdi; Ban, Xu; Zhao, Xiaowei; Yin, Yanli; Cao, Shanshan; Jiang, Zhiyong
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 9.1987 ± 0.0006 Å
• b: 11.0072 ± 0.0006 Å
• c: 12.2093 ± 0.0006 Å
• α: 90.074 ± 0.004°
• β: 92.871 ± 0.004°
• γ: 96.049 ± 0.005°
• Cell volume: 1227.76 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0858
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.2102
• Weighted residual factors for all reflections included in the refinement: 0.228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No