Information card for entry 7121244

Structure parameters

• Formula: C15 H9 F5 O2
• Calculated formula: C15 H9 F5 O2
• Title of publication: Synthesis of polyfluoroarene-substituted benzofuran derivatives via cooperative Pd/Cu catalysis.
• Authors of publication: Shen, Yi; Wu, Xin-Xing; Chen, Si; Xia, Yu; Liang, Yong-Min
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 18
• Pages of publication: 2256 - 2259
• a: 10.7847 ± 0.0011 Å
• b: 8.7041 ± 0.0009 Å
• c: 28.524 ± 0.004 Å
• α: 90°
• β: 99.114 ± 0.01°
• γ: 90°
• Cell volume: 2643.8 ± 0.5 ų
• Cell temperature: 296.61 ± 0.19 K
• Ambient diffraction temperature: 296.61 ± 0.19 K
• Number of distinct elements: 4
• 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: 0.1804
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.1733
• Weighted residual factors for all reflections included in the refinement: 0.231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No