Information card for entry 4134712

Structure parameters

• Formula: C20 H17 F O4
• Calculated formula: C20 H17 F O4
• Title of publication: Enantioselective Cross-Coupling for Axially Chiral Tetra-ortho-Substituted Biaryls and Asymmetric Synthesis of Gossypol.
• Authors of publication: Yang, He; Sun, Jiawei; Gu, Wei; Tang, Wenjun
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 17
• Pages of publication: 8036 - 8043
• a: 8.9632 ± 0.0019 Å
• b: 8.3819 ± 0.0019 Å
• c: 12.045 ± 0.004 Å
• α: 90°
• β: 107.15 ± 0.03°
• γ: 90°
• Cell volume: 864.7 ± 0.4 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.0526
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No