Information card for entry 1571583

Structure parameters

• Formula: C16 H10 Br F3 O
• Calculated formula: C16 H10 Br 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
• Journal volume: 15
• Journal issue: 23
• Pages of publication: 8828 - 8834
• a: 16.291 ± 0.002 Å
• b: 6.2878 ± 0.0006 Å
• c: 15.4937 ± 0.0018 Å
• α: 90°
• β: 116.475 ± 0.015°
• γ: 90°
• Cell volume: 1420.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.1743
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No