Information card for entry 4120579

Structure parameters

• Formula: C87 H101 Cl6 N12 O20 S
• Calculated formula: C87 H101 Cl6 N12 O20 S
• Title of publication: Aromatic Oligoamide β-Sheet Foldamers.
• Authors of publication: Sebaoun, Laure; Maurizot, Victor; Granier, Thierry; Kauffmann, Brice; Huc, Ivan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 5
• Pages of publication: 2168 - 2174
• a: 15.248 ± 0.003 Å
• b: 16.89 ± 0.003 Å
• c: 19.555 ± 0.004 Å
• α: 85.29 ± 0.03°
• β: 67.3 ± 0.03°
• γ: 83.12 ± 0.03°
• Cell volume: 4609.1 ± 1.9 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: 0.1689
• Residual factor for significantly intense reflections: 0.1364
• Weighted residual factors for significantly intense reflections: 0.3537
• Weighted residual factors for all reflections included in the refinement: 0.3777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.337
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No