Information card for entry 7133412

Structure parameters

• Formula: C44 H34 Br2 O4
• Calculated formula: C44 H34 Br2 O4
• Title of publication: Catalytic asymmetric construction of bridged bicyclo[<i>m</i>.3.1] rings using an intramolecular Diels-Alder reaction.
• Authors of publication: Li, Kai; Zhao, Zhengxing; Qin, Wenling; Liu, Yidong; Yan, Hailong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 71
• Pages of publication: 9570 - 9573
• a: 28.1188 ± 0.0008 Å
• b: 7.6926 ± 0.0002 Å
• c: 15.6637 ± 0.0005 Å
• α: 90°
• β: 92.223 ± 0.003°
• γ: 90°
• Cell volume: 3385.61 ± 0.17 ų
• Cell temperature: 200.01 ± 0.1 K
• Ambient diffraction temperature: 200.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.1685
• Weighted residual factors for all reflections included in the refinement: 0.1771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No