Information card for entry 4518523

Structure parameters

• Formula: C40 H34 Br8 N2 O6
• Calculated formula: C40 H34 Br8 N2 O6
• Title of publication: Highly Diastereo- and Enantioselective Synthesis of Tetrahydrobenzo[b]azocines via Palladium-Catalyzed [4 + 4] Cycloaddition
• Authors of publication: Gao, Can; Wang, Xunhua; Liu, Jitian; Li, Xiaoxun
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Pages of publication: 2684 - 2690
• a: 28.1259 ± 0.0009 Å
• b: 7.5367 ± 0.0003 Å
• c: 20.6213 ± 0.0005 Å
• α: 90°
• β: 104.756 ± 0.003°
• γ: 90°
• Cell volume: 4227.1 ± 0.2 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No