Information card for entry 1568865

Structure parameters

• Formula: C21 H11 F21 O
• Calculated formula: C21 H11 F21 O
• Title of publication: Enantioselective catalytic remote perfluoroalkylation of α-branched enals driven by light.
• Authors of publication: Balletti, Matteo; Wachsmuth, Tommy; Di Sabato, Antonio; Hartley, Will C.; Melchiorre, Paolo
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 4923 - 4927
• a: 5.6498 ± 0.0002 Å
• b: 9.6522 ± 0.0003 Å
• c: 22.2488 ± 0.0006 Å
• α: 90°
• β: 92.285 ± 0.002°
• γ: 90°
• Cell volume: 1212.33 ± 0.07 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: 0.0476
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No