Information card for entry 4127787

Structure parameters

• Formula: C10 H10 F3 N O
• Calculated formula: C10 H10 F3 N O
• SMILES: FC(F)(F)[C@H](NC(=O)C)c1ccccc1
• Title of publication: Fluorinated Aromatic Monomers as Building Blocks To Control α-Peptoid Conformation and Structure.
• Authors of publication: Gimenez, Diana; Zhou, Guangfeng; Hurley, Matthew F. D.; Aguilar, Juan A.; Voelz, Vincent A.; Cobb, Steven L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 8
• Pages of publication: 3430 - 3434
• a: 4.9345 ± 0.0001 Å
• b: 8.6504 ± 0.0002 Å
• c: 23.3738 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 997.72 ± 0.04 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No