Information card for entry 1553969

Structure parameters

• Formula: C23 H19 F O2
• Calculated formula: C23 H19 F O2
• SMILES: Fc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)c3c([C@@H](O)C2)cccc3)cc1.Fc1ccc([C@H]2[C@H](C(=O)c3ccccc3)c3c([C@H](O)C2)cccc3)cc1
• Title of publication: A silver-catalyzed three-component reaction via stabilized cation: synthesis of polysubstituted tetrahydronaphthols and tetrahydronaphthylamines
• Authors of publication: Luo, Hejiang; Liang, Renxiao; Chen, Lianfen; Jiang, Huanfeng; Zhu, Shifa
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 7
• Pages of publication: 1160
• a: 8.9683 ± 0.0005 Å
• b: 9.8217 ± 0.0005 Å
• c: 11.353 ± 0.0007 Å
• α: 75.074 ± 0.005°
• β: 77.458 ± 0.005°
• γ: 63.345 ± 0.005°
• Cell volume: 857.59 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0681
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No