Information card for entry 1545436

Structure parameters

• Formula: C13 H13 F2 N O5
• Calculated formula: C13 H13 F2 N O5
• SMILES: FC(F)(CC1Oc2c(cc(N(=O)=O)cc2)C1)C(=O)OCC
• 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: 5.5051 ± 0.0003 Å
• b: 9.661 ± 0.0004 Å
• c: 12.4968 ± 0.0006 Å
• α: 81.35 ± 0.004°
• β: 80.175 ± 0.004°
• γ: 82.598 ± 0.004°
• Cell volume: 643.8 ± 0.05 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.1688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No