Information card for entry 1566612

Structure parameters

• Formula: C26 H39 F O4
• Calculated formula: C26 H39 F O4
• Title of publication: Catalytic alkene skeletal modification for the construction of fluorinated tertiary stereocenters
• Authors of publication: Jiang, Liyin; Sarró, Pau; Teo, Wei Jie; Llop, Jordi; Suero, Marcos
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 14.7648 ± 0.0015 Å
• b: 6.0876 ± 0.0005 Å
• c: 26.974 ± 0.002 Å
• α: 90°
• β: 96.281 ± 0.009°
• γ: 90°
• Cell volume: 2409.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No