Information card for entry 1566611

Structure parameters

• Formula: C28 H41 F O4
• Calculated formula: C28 H41 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: 10.3779 ± 0.0006 Å
• b: 7.2974 ± 0.0004 Å
• c: 33.47 ± 0.003 Å
• α: 90°
• β: 98.797 ± 0.006°
• γ: 90°
• Cell volume: 2504.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0942
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No