Information card for entry 1573602

Structure parameters

• Chemical name: ADP-2MAFSALT
• Formula: C20 H22 N4 O8 S2
• Calculated formula: C20 H22 N4 O8 S2
• Title of publication: Designing anti-bacterial supramolecular gels from primary ammonium dicarboxylate (PAD) salts for self-delivery applications.
• Authors of publication: Roy, Nabanita; Ghosh, Subhajit; Dutta, Abhishek; Dastidar, Parthasarathi
• Journal of publication: Faraday discussions
• Year of publication: 2025
• Journal volume: 260
• Journal issue: 0
• Pages of publication: 283 - 309
• a: 10.4623 ± 0.0003 Å
• b: 5.916 ± 0.0002 Å
• c: 20.1437 ± 0.0006 Å
• α: 90°
• β: 104.968 ± 0.001°
• γ: 90°
• Cell volume: 1204.49 ± 0.06 ų
• Cell temperature: 148 ± 2 K
• Ambient diffraction temperature: 147.9 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: 0.065
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1553
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No