Information card for entry 1547740

Structure parameters

• Formula: C18 H13 F O2
• Calculated formula: C18 H13 F O2
• SMILES: Fc1cc2cc(C(=O)OC)c(c3ccccc3)cc2cc1
• Title of publication: Gold-Catalyzed Ring Expansion of Enyne-Lactone: Generation and Transformation of 2-Oxoninonium.
• Authors of publication: Luo, Kui; Cao, Tongxiang; Jiang, Huanfeng; Chen, Lianfen; Zhu, Shifa
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 21
• Pages of publication: 5856 - 5859
• a: 16.1365 ± 0.0006 Å
• b: 7.3743 ± 0.0003 Å
• c: 11.6885 ± 0.0005 Å
• α: 90°
• β: 103.14 ± 0.004°
• γ: 90°
• Cell volume: 1354.46 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 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: 0.0553
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No