Information card for entry 1576839

Structure parameters

• Formula: C30 H52 F3 N3 O3
• Calculated formula: C30 H52 F3 N3 O3
• Title of publication: Amino acid appended supramolecular self-associating amphiphiles demonstrate dual activity against both MRSA and ovarian cancer
• Authors of publication: Popoola, Precious I. A.; Allam, Thomas L.; Lilley, Rebecca J.; Manwani, Chandni; Keers, Olivia B.; Tan, Junyang; Yang, Kylie; Long, Yifan; Clark, Ewan R.; White, Lisa J.; Hilton, Kira L. F.; Rankin, Jennifer; Baker, Jennifer; Bennett, Charlotte; Wilson, Hollie B.; Morton, Evelyn R.; Keskküla, Alvaro; Martin, Bethany; O'Connor, Christopher; Sutton, J. Mark; Hind, Charlotte K.; Garrett, Michelle D.; Haynes, Cally J. E.; Hiscock, Jennifer R.
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 15.47 ± 0.004 Å
• b: 18.843 ± 0.006 Å
• c: 10.856 ± 0.003 Å
• α: 90°
• β: 90.99 ± 0.03°
• γ: 90°
• Cell volume: 3164.1 ± 1.6 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.3219
• Residual factor for significantly intense reflections: 0.1757
• Weighted residual factors for significantly intense reflections: 0.3783
• Weighted residual factors for all reflections included in the refinement: 0.4984
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No