Information card for entry 4038484

Structure parameters

• Formula: C17 H18 O3
• Calculated formula: C17 H18 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: 8.6843 ± 0.0006 Å
• b: 8.6843 ± 0.0006 Å
• c: 32.226 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2104.8 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 199.99 K
• Number of distinct elements: 3
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No