Information card for entry 7120097

Structure parameters

• Formula: C21 H22 F2 O2
• Calculated formula: C21 H22 F2 O2
• SMILES: F[C@@H](C(=O)c1c(cccc1)[C@H](F)C(=O)c1ccc(cc1)C)C(C)(C)C.F[C@H](C(=O)c1c(cccc1)[C@@H](F)C(=O)c1ccc(cc1)C)C(C)(C)C
• Title of publication: Ag-catalyzed difluorohydration of β-alkynyl ketones for diastereoselective synthesis of 1,5-diconboyl compounds
• Authors of publication: Zhu, Yi-Long; Wang, Ai-Fang; Du, Jian-Yu; Leng, Bo-Rong; Tu, Shu-Jiang; Wang, Decai; Wei, Ping; Hao, Wen-Juan; Jiang, Bo
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 20.8163 ± 0.0018 Å
• b: 20.8163 ± 0.0018 Å
• c: 8.5798 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3717.8 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.1647
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1822
• Weighted residual factors for all reflections included in the refinement: 0.2068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No