Information card for entry 1573607

Structure parameters

• Chemical name: ADP-2TRYPTSALT
• Formula: C26 H34 N4 O4
• Calculated formula: C26 H34 N4 O4
• SMILES: C(CCCC(=O)[O-])C(=O)[O-].C(Cc1c[nH]c2ccccc12)[NH3+].C(Cc1c[nH]c2ccccc12)[NH3+]
• 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: 9.788 ± 0.006 Å
• b: 6.098 ± 0.004 Å
• c: 21.09 ± 0.014 Å
• α: 90°
• β: 96.993 ± 0.009°
• γ: 90°
• Cell volume: 1249.4 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• 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: 0.0439
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No