Information card for entry 7129003

Structure parameters

• Formula: C16 H14.08 F12 N2 O10.04 S2 Zn
• Calculated formula: C16 H14.08 F12 N2 O10.04 S2 Zn
• 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: 17.4342 ± 0.0004 Å
• b: 12.8734 ± 0.0003 Å
• c: 23.1114 ± 0.0006 Å
• α: 90°
• β: 93.993 ± 0.001°
• γ: 90°
• Cell volume: 5174.5 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No