Information card for entry 7160869

Structure parameters

• Formula: C29 H53 N3 O7
• Calculated formula: C29 H53 N3 O7
• 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: 8.6519 ± 0.0003 Å
• b: 9.5272 ± 0.0003 Å
• c: 19.0975 ± 0.0007 Å
• α: 93.88 ± 0.003°
• β: 95.67 ± 0.003°
• γ: 100.995 ± 0.003°
• Cell volume: 1531.68 ± 0.09 ų
• Cell temperature: 150 ± 0.5 K
• Ambient diffraction temperature: 150 ± 0.5 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1101
• 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