Information card for entry 7242342

Structure parameters

• Formula: C18 H20 F3 N5 O5 S
• Calculated formula: C18 H20 F3 N5 O5 S
• Title of publication: Supramolecular self-associating amphiphiles (SSAs) as enhancers of antimicrobial agents towards Escherichia coli (E. coli)
• Authors of publication: Boles, Jessica E.; Ellaby, Rebecca J.; Shepherd, Helena J.; Hiscock, Jennifer R.
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 16
• Pages of publication: 9550 - 9556
• a: 8.3209 ± 0.0005 Å
• b: 46.084 ± 0.005 Å
• c: 5.1719 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1983.2 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1158
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.1732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No