Information card for entry 7159396

Structure parameters

• Formula: C22 H22 Cl6 F4 N2 O2
• Calculated formula: C22 H22 Cl6 F4 N2 O2
• Title of publication: Conformational preference in difluoroacetamide oligomers: probing the potential for foldamers with C-H⋯O hydrogen bonds.
• Authors of publication: Žabka, Matej; Clayden, Jonathan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 29
• Pages of publication: 5939 - 5943
• a: 5.7583 ± 0.0002 Å
• b: 10.0636 ± 0.0004 Å
• c: 12.6561 ± 0.0005 Å
• α: 66.988 ± 0.001°
• β: 86.953 ± 0.001°
• γ: 87.639 ± 0.001°
• Cell volume: 673.93 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No