Information card for entry 1576838

Structure parameters

• Formula: C21 H23 F3 N2 O3
• Calculated formula: C21 H23 F3 N2 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: 5.7353 ± 0.0004 Å
• b: 18.3597 ± 0.0018 Å
• c: 19.4042 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2043.2 ± 0.3 ų
• Cell temperature: 99.98 ± 0.1 K
• Ambient diffraction temperature: 99.98 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.1733
• Weighted residual factors for all reflections included in the refinement: 0.1927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No