Information card for entry 7101271

Structure parameters

• Common name: 2,2'-dihydroxy-3,3',4,4',5,5',6,6',7,7',8,8'-dodecafluoro- 1,1'-binaphthyl bis(diethylether) adduct
• Formula: C28 H22 F12 O4
• Calculated formula: C28 H22 F12 O4
• SMILES: Fc1c(O)c(c2c(c1F)c(F)c(F)c(F)c2F)c1c(O)c(F)c(F)c2c(F)c(F)c(F)c(F)c12.O(CC)CC.O(CC)CC
• 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: 10.9881 ± 0.0009 Å
• b: 20.1333 ± 0.0016 Å
• c: 12.905 ± 0.001 Å
• α: 90°
• β: 103.364 ± 0.0014°
• γ: 90°
• Cell volume: 2777.6 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No