Information card for entry 1571585

Structure parameters

• Formula: C18 H15 F3 O
• Calculated formula: C18 H15 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: 6.9554 ± 0.0004 Å
• b: 13.0085 ± 0.0007 Å
• c: 17.4007 ± 0.0013 Å
• α: 75.775 ± 0.006°
• β: 80.036 ± 0.006°
• γ: 89.708 ± 0.005°
• Cell volume: 1501.96 ± 0.17 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: 0.0797
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No