Information card for entry 7123954

Structure parameters

• Common name: 220
• Formula: C87 H90 Cl6 N12 O14
• Calculated formula: C87 H90 Cl6 N12 O14
• Title of publication: Aromatic β-sheet foldamers based on tertiary squaramides
• Authors of publication: Atcher, Joan; Nagai, Aki; Mayer, Peter; Maurizot, Victor; Tanatani, Aya; Huc, Ivan
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 13.973 ± 0.003 Å
• b: 17.045 ± 0.004 Å
• c: 20.872 ± 0.004 Å
• α: 89.66 ± 0.007°
• β: 85.484 ± 0.006°
• γ: 89.815 ± 0.007°
• Cell volume: 4955.5 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1826
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.2309
• Weighted residual factors for all reflections included in the refinement: 0.2633
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No