Information card for entry 1553768

Structure parameters

• Formula: C22 H26 F2 N2 O2
• Calculated formula: C22 H26 F2 N2 O2
• SMILES: FC(F)(C(=O)N(CC)CC)CC(C)(C(=O)Nc1ccccc1)c1ccccc1
• Title of publication: CuBr-mediated radical cascade difluoroacetamidation of acrylamides using α,α-difluoro-α-(TMS)-acetamides
• Authors of publication: Liu, Kai; Sui, Lin-Chao; Jin, Qiao; Li, Deng-Yuan; Liu, Pei-Nian
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 8
• Pages of publication: 1606
• a: 8.7598 ± 0.0009 Å
• b: 25.852 ± 0.003 Å
• c: 8.8958 ± 0.0009 Å
• α: 90°
• β: 96.431 ± 0.002°
• γ: 90°
• Cell volume: 2001.9 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• 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: 0.0599
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No