Information card for entry 7123956

Structure parameters

• Formula: C109 H114 N14 O20
• Calculated formula: C109 H114 N14 O20
• 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: 11.647 ± 0.0006 Å
• b: 23.8157 ± 0.0006 Å
• c: 24.7874 ± 0.0006 Å
• α: 104.064 ± 0.002°
• β: 96.215 ± 0.004°
• γ: 96.776 ± 0.003°
• Cell volume: 6555.6 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1463
• Residual factor for significantly intense reflections: 0.12
• Weighted residual factors for significantly intense reflections: 0.3382
• Weighted residual factors for all reflections included in the refinement: 0.3636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No