Information card for entry 1552854

Structure parameters

• Chemical name: 1-(1,1,2,2,8,8,8,8,8-Nonafluoro-8λ8-octa-3,5,7-triyn-1-yl)naphthalene
• Formula: C18 H7 F9
• Calculated formula: C18 H7 F9
• SMILES: FC(F)(c1c2ccccc2ccc1)C(F)(F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Controllable double CF2-insertion into sp2 C–Cu bond using TMSCF3: a facile access to tetrafluoroethylene-bridged structures
• Authors of publication: Xie, Qiqiang; Zhu, Ziyue; Li, Lingchun; Ni, Chuanfa; Hu, Jinbo
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 276 - 280
• a: 7.427 ± 0.002 Å
• b: 7.782 ± 0.003 Å
• c: 13.74 ± 0.005 Å
• α: 89.382 ± 0.01°
• β: 89.146 ± 0.01°
• γ: 68.679 ± 0.01°
• Cell volume: 739.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1222
• Residual factor for significantly intense reflections: 0.0956
• Weighted residual factors for significantly intense reflections: 0.2657
• Weighted residual factors for all reflections included in the refinement: 0.3183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No