Information card for entry 7054547

Structure parameters

• Formula: C18 H18 Br F7 N2 O
• Calculated formula: C18 H18 Br F7 N2 O
• SMILES: [Br-].Fc1c(C[N+]23CCN(CC2)CC3)c(F)c2c(c1F)c(F)c(F)c(F)c2F.OC
• Title of publication: Perfluoro-1,1′-biphenyl and perfluoronaphthalene and their derivatives as π-acceptors for anions
• Authors of publication: Yi, Hai; Albrecht, Markus; Valkonen, Arto; Rissanen, Kari
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 1
• Pages of publication: 746
• a: 13.647 ± 0.0003 Å
• b: 12.4533 ± 0.0002 Å
• c: 22.0643 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3749.83 ± 0.12 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No