Information card for entry 1544968

Structure parameters

• Formula: C11 H7 F3 O2
• Calculated formula: C11 H7 F3 O2
• Title of publication: Visible-Light-Driven, Radical-Triggered Tandem Cyclization of o-Hydroxyaryl Enaminones: Facile Access to 3-CF2 /CF3-Containing Chromones.
• Authors of publication: Xiang, Haoyue; Zhao, Qinglan; Tang, Zhenyu; Xiao, Junan; Xia, Pengju; Wang, Chaoming; Yang, Chunhao; Chen, Xiaoqing; Yang, Hua
• Journal of publication: Organic letters
• Year of publication: 2016
• a: 12.6569 ± 0.0014 Å
• b: 6.8697 ± 0.0007 Å
• c: 11.6339 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1011.56 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No