Information card for entry 7160870

Structure parameters

• Formula: C14 H15 F3 N2 O5
• Calculated formula: C14 H15 F3 N2 O5
• Title of publication: Dicarboxylate and dicarboxylic acid appended supramolecular self-associating amphiphiles as antimicrobial agents against high priority bacterial pathogens.
• Authors of publication: White, Lisa J.; Streather, Bree; Sutton, J. Mark; Rankin, Jennifer; Baker, Jennifer; Bennett, Charlotte; Wilson, Hollie B.; Hind, Charlotte K.; Hiscock, Jennifer R.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• a: 27.781 ± 0.003 Å
• b: 10.9013 ± 0.001 Å
• c: 10.0416 ± 0.0007 Å
• α: 90°
• β: 93.477 ± 0.01°
• γ: 90°
• Cell volume: 3035.5 ± 0.5 ų
• Cell temperature: 150 ± 0.5 K
• Ambient diffraction temperature: 150 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1617
• Residual factor for significantly intense reflections: 0.1299
• Weighted residual factors for significantly intense reflections: 0.383
• Weighted residual factors for all reflections included in the refinement: 0.4072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No