Information card for entry 7101274

Structure parameters

• Common name: (R)-(-)-bis((S)-2acetoxypropionato)- 3,3',4,4',5,5',6,6',7,7',8,8'-dodecafluoro-1,1'-binaphthyl
• Formula: C30 H14 F12 O8
• Calculated formula: C30 H14 F12 O8
• SMILES: Fc1c(OC(=O)[C@@H](OC(=O)C)C)c(c2c(c1F)c(F)c(F)c(F)c2F)c1c(OC(=O)[C@@H](OC(=O)C)C)c(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: 10.1781 ± 0.0012 Å
• b: 12.7075 ± 0.0015 Å
• c: 11.4937 ± 0.0014 Å
• α: 90°
• β: 99.4442 ± 0.0017°
• γ: 90°
• Cell volume: 1466.4 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No