Information card for entry 4038578

Structure parameters

• Formula: C18 H12 F8 I2 O4
• Calculated formula: C18 H12 F8 I2 O4
• Title of publication: Synthesis of Electron-Deficient Chiral Biphenols and Their Applica-tions in Catalytic Asymmetric Reactions.
• Authors of publication: Yasumoto, Kento; Kano, Taichi; Maruoka, Keiji
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 10.4936 ± 0.0004 Å
• b: 20.3829 ± 0.0009 Å
• c: 10.7259 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2294.16 ± 0.17 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 0.83
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No