Information card for entry 4133192

Structure parameters

• Formula: C17 H17 F O6
• Calculated formula: C17 H17 F O6
• Title of publication: Cerium-Catalyzed Formal Cycloaddition of Cycloalkanols with Alkenes through Dual Photoexcitation.
• Authors of publication: Hu, Anhua; Chen, Yilin; Guo, Jing-Jing; Yu, Na; An, Qing; Zuo, Zhiwei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 42
• Pages of publication: 13580 - 13585
• a: 8.582 ± 0.001 Å
• b: 9.142 ± 0.0012 Å
• c: 10.6911 ± 0.0014 Å
• α: 98.618 ± 0.008°
• β: 93.721 ± 0.007°
• γ: 96.898 ± 0.007°
• Cell volume: 820.37 ± 0.18 ų
• Cell temperature: 166 ± 2 K
• Ambient diffraction temperature: 166 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1591
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No