Information card for entry 7101272

Structure parameters

• Common name: 3,3',4,4',5,5',6,6',7,7',8,8'-dodecafluoro-1,1'-binaphthyl
• Formula: C20 H2 F12
• Calculated formula: C20 H2 F12
• SMILES: Fc1cc(c2c(c1F)c(F)c(F)c(F)c2F)c1cc(F)c(F)c2c(F)c(F)c(F)c(F)c12
• Title of publication: 2,2'-Disubstituted F12Binaphthyl Derivatives: Stannanes, Boranes, and (R)-F12BINOL
• Authors of publication: W.Piers; Robert McDonald; Darryl J. Morrison; Masood Parvez; Susanne D. Riegel
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 27
• a: 13.1128 ± 0.0002 Å
• b: 23.9042 ± 0.0005 Å
• c: 10.194 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3195.32 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.0649
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No