Information card for entry 1571566

Structure parameters

• Formula: C36 H28 Cl3 N3 O3
• Calculated formula: C36 H28 Cl3 N3 O3
• 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: 10.2162 ± 0.0003 Å
• b: 16.7001 ± 0.0004 Å
• c: 19.1032 ± 0.0005 Å
• α: 90°
• β: 105.024 ± 0.001°
• γ: 90°
• Cell volume: 3147.82 ± 0.15 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No