Information card for entry 1558182

Structure parameters

• Formula: C53.81 H87.51 N13 O9.45 Si
• Calculated formula: C53.8074 H87.5185 N13 O9.45185 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: 9.207 ± 0.0003 Å
• b: 15.6088 ± 0.0003 Å
• c: 23.6308 ± 0.0005 Å
• α: 85.168 ± 0.002°
• β: 79.223 ± 0.002°
• γ: 76.681 ± 0.002°
• Cell volume: 3243.35 ± 0.14 ų
• Cell temperature: 220.01 ± 0.1 K
• Ambient diffraction temperature: 220.01 ± 0.1 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: 0.0939
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.2505
• Weighted residual factors for all reflections included in the refinement: 0.2641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No