Information card for entry 4134715

Structure parameters

• Formula: C23 H20 O5
• Calculated formula: C23 H20 O5
• 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: 8.4534 ± 0.0002 Å
• b: 8.7745 ± 0.0002 Å
• c: 26.1457 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1939.34 ± 0.08 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 301.97 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No