Information card for entry 1545253

Structure parameters

• Formula: C16 H9 F13 O2
• Calculated formula: C16 H9 F13 O2
• SMILES: O1c2c(C=O)cccc2CC1CC(F)(F)C(C(F)(C(C(F)(F)C(F)(F)F)(F)F)F)(F)F
• Title of publication: Palladium-Catalyzed Fluoroalkylative Cyclization of Olefins.
• Authors of publication: Liao, Jianhua; Fan, Lianfeng; Guo, Wei; Zhang, Zhenming; Li, Jiawei; Zhu, Chuanle; Ren, Yanwei; Wu, Wanqing; Jiang, Huanfeng
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 5
• Pages of publication: 1008 - 1011
• a: 5.5613 ± 0.0011 Å
• b: 12.363 ± 0.003 Å
• c: 13.729 ± 0.003 Å
• α: 97.92 ± 0.03°
• β: 99.81 ± 0.03°
• γ: 99.47 ± 0.03°
• Cell volume: 904 ± 0.4 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: 0.2112
• Residual factor for significantly intense reflections: 0.155
• Weighted residual factors for significantly intense reflections: 0.4315
• Weighted residual factors for all reflections included in the refinement: 0.4729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.628
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No