Information card for entry 4038486

Structure parameters

• Formula: C17 H17 Br O3
• Calculated formula: C17 H17 Br O3
• Title of publication: Gold-Catalyzed Diastereoselective Formal Intermolecular [4 + 2 + 1] Cycloaddition of 1,3-Dien-8-yne with Diazo Ester.
• Authors of publication: Wang, Yu-Jiang; Li, Xiao-Xiao; Chen, Zili
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 9.2435 ± 0.0012 Å
• b: 11.0703 ± 0.0013 Å
• c: 15.3163 ± 0.0017 Å
• α: 90°
• β: 102.368 ± 0.004°
• γ: 90°
• Cell volume: 1530.9 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No