Information card for entry 7118517

Structure parameters

• Formula: C21 H15 F2 N O
• Calculated formula: C21 H15 F2 N O
• SMILES: c12ccccc1c1ccccc1c(C(c1ccc(cc1)OC)(F)F)n2
• Title of publication: Silver-catalyzed oxidative decarboxylation of difluoroacetates: efficient access to C-CF2 bond formation.
• Authors of publication: Wan, Wen; Ma, Guobin; Li, Jialiang; Chen, Yunrong; Hu, Qingyang; Li, Minjie; Jiang, Haizhen; Deng, Hongmei; Hao, Jian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 1598 - 1601
• a: 5.498 ± 0.005 Å
• b: 9.083 ± 0.008 Å
• c: 16.538 ± 0.015 Å
• α: 90°
• β: 92.524 ± 0.01°
• γ: 90°
• Cell volume: 825.1 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.603
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No