Information card for entry 7156575

Structure parameters

• Formula: C17 H11 F O3
• Calculated formula: C17 H11 F O3
• Title of publication: A gold-catalyzed cycloisomerization/aerobic oxidation cascade strategy for 2-aryl indenones from 1,5-enynes.
• Authors of publication: Guo, Jia; Peng, Xiaoshi; Wang, Xiaoyu; Xie, Fukai; Zhang, Xinhang; Liang, Guoduan; Sun, Zenghui; Liu, Yongxiang; Cheng, Maosheng; Liu, Yang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 47
• Pages of publication: 9147 - 9151
• a: 14.778 ± 0.003 Å
• b: 5.9149 ± 0.0009 Å
• c: 29.159 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2548.8 ± 0.8 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2018
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.2043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No