Information card for entry 4038673

Structure parameters

• Formula: C27 H27 F N2 O3
• Calculated formula: C27 H27 F N2 O3
• SMILES: FC(N(C(=O)c1ccccc1)c1ccc(cc1)C)(C(=O)c1ccccc1)C(=O)NC(C)(C)C
• Title of publication: Controlling the stereochemistry in 2-oxo-aldehyde-derived Ugi adducts through the cinchona alkaloid-promoted electrophilic fluorination.
• Authors of publication: Wang, Yuqing; Wang, Gaigai; Peshkov, Anatoly A.; Yao, Ruwei; Hasan, Muhammad; Zaman, Manzoor; Liu, Chao; Kashtanov, Stepan; Pereshivko, Olga P.; Peshkov, Vsevolod A.
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2020
• Journal volume: 16
• Pages of publication: 1963 - 1973
• a: 13.199 ± 0.002 Å
• b: 11.712 ± 0.002 Å
• c: 15.424 ± 0.003 Å
• α: 90°
• β: 91.56 ± 0.009°
• γ: 90°
• Cell volume: 2383.5 ± 0.7 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1547
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No