Information card for entry 7129002

Structure parameters

• Formula: C14 H10 F6 N2 O2
• Calculated formula: C14 H10 F6 N2 O2
• Title of publication: 2,2'-Bipyridine-α,α'-trifluoromethyl-diol ligand: synthesis and application in the asymmetric Et₂Zn alkylation of aldehydes.
• Authors of publication: Lauzon, Samuel; Ollevier, Thierry
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 84
• Pages of publication: 11025 - 11028
• a: 14.5873 ± 0.0002 Å
• b: 14.5873 ± 0.0002 Å
• c: 6.7844 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1443.65 ± 0.05 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 94
• Hermann-Mauguin space group symbol: P 42 21 2
• Hall space group symbol: P 4n 2n
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No