Information card for entry 7122693

Structure parameters

• Formula: C65.99 H105.09 N6 O13.31 S3
• Calculated formula: C65.998 H105.094 N6 O13.305 S2.999
• Title of publication: A symbiotic supramolecular approach to the design of novel amphiphiles with antibacterial properties against MSRA
• Authors of publication: Tyuleva, Stilyana N.; Allen, Nyasha; White, Lisa J.; Pépés, Antigoni; Shepherd, Helena J.; Saines, Paul J.; Ellaby, Rebecca J.; Mulvihill, Daniel P.; Hiscock, Jennifer R.
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 11.4872 ± 0.001 Å
• b: 12.4679 ± 0.0009 Å
• c: 25.0105 ± 0.0013 Å
• α: 95.236 ± 0.005°
• β: 90.694 ± 0.006°
• γ: 105.37 ± 0.007°
• Cell volume: 3437.1 ± 0.4 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 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: 0.1123
• Residual factor for significantly intense reflections: 0.0981
• Weighted residual factors for significantly intense reflections: 0.261
• Weighted residual factors for all reflections included in the refinement: 0.2846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No