Information card for entry 1571565

Structure parameters

• Formula: C41 H35 F N2 O5
• Calculated formula: C41 H35 F N2 O5
• Title of publication: Organocatalytic diastereo- and atropo-selective construction of eight-membered bridged (hetero)biaryls <i>via</i> asymmetric intramolecular [3 + 2] cycloaddition.
• Authors of publication: Wang, Yue; Huang, Yue; Bao, Xiaoze; Wei, Xingfu; Wei, Shiqiang; Qu, Jingping; Wang, Baomin
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 23
• Pages of publication: 8880 - 8887
• a: 9.0844 ± 0.0003 Å
• b: 10.3859 ± 0.0004 Å
• c: 18.7463 ± 0.0006 Å
• α: 75.426 ± 0.002°
• β: 89.765 ± 0.002°
• γ: 88.695 ± 0.002°
• Cell volume: 1711.35 ± 0.1 ų
• Cell temperature: 302 K
• Ambient diffraction temperature: 302 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No