Information card for entry 7158886

Structure parameters

• Formula: C23 H46 N4 O5 S
• Calculated formula: C23 H46 N4 O5 S
• Title of publication: Supramolecular self-associating amphiphiles as aqueous pollutant scavengers
• Authors of publication: Ellaby, Rebecca J.; White, Lisa J.; Boles, Jessica E.; Ozturk, Sena; Hiscock, Jennifer R.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 19.4107 ± 0.0003 Å
• b: 14.5657 ± 0.0002 Å
• c: 38.5152 ± 0.0006 Å
• α: 90°
• β: 98.1706 ± 0.0015°
• γ: 90°
• Cell volume: 10778.9 ± 0.3 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1384
• Residual factor for significantly intense reflections: 0.1
• Weighted residual factors for significantly intense reflections: 0.2395
• Weighted residual factors for all reflections included in the refinement: 0.2723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No