Information card for entry 4118292

Structure parameters

• Common name: ubsc11
• Formula: C13 H16 O2
• Calculated formula: C13 H16 O2
• Title of publication: Copper-Catalyzed Intramolecular Alkene Carboetherification: Synthesis of Fused-Ring and Bridged-Ring Tetrahydrofurans
• Authors of publication: Yan Miller; Lei Miao; Azade S. Hosseini; Sherry R. Chemler
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 12149 - 12156
• a: 7.6145 ± 0.0006 Å
• b: 7.9079 ± 0.0007 Å
• c: 9.6513 ± 0.0008 Å
• α: 99.938 ± 0.002°
• β: 98.057 ± 0.001°
• γ: 106.992 ± 0.002°
• Cell volume: 536.12 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1071
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No