Information card for entry 1558183

Structure parameters

• Formula: C53 H84 Cl Cu N13 O12 Si
• Calculated formula: C53 H84 Cl Cu N13 O12 Si
• Title of publication: Switchable foldamer ion channels with antibacterial activity
• Authors of publication: Peters, Anna D.; Borsley, Stefan; della Sala, Flavio; Cairns-Gibson, Dominic F.; Leonidou, Marios; Clayden, Jonathan; Whitehead, George F. S.; Vitorica-Yrzebal, Inigo; Takano, Eriko; Burthem, John; Cockroft, Scott Lee; Webb, Simon
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 9.1099 ± 0.0002 Å
• b: 24.1351 ± 0.0009 Å
• c: 34.1137 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7500.5 ± 0.4 ų
• Cell temperature: 150 ± 0.02 K
• Ambient diffraction temperature: 150 ± 0.02 K
• Number of distinct elements: 7
• 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: 0.1081
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1715
• Weighted residual factors for all reflections included in the refinement: 0.1949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No