Information card for entry 4123791

Structure parameters

• Formula: C13 H9 F7 I N O
• Calculated formula: C13 H9 F7 I N O
• SMILES: ICC1(N(c2c(F)c(F)c(C(F)(F)F)c(F)c2F)C(=O)CC1)C
• Title of publication: γ,δ,ε-C(sp(3))-H Functionalization through Directed Radical H-Abstraction.
• Authors of publication: Liu, Tao; Mei, Tian-Sheng; Yu, Jin-Quan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 18
• Pages of publication: 5871 - 5874
• a: 6.1326 ± 0.0004 Å
• b: 27.1761 ± 0.0014 Å
• c: 8.9213 ± 0.0005 Å
• α: 90°
• β: 103.651 ± 0.001°
• γ: 90°
• Cell volume: 1444.82 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0498
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.224
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No