Information card for entry 1573606

Structure parameters

• Chemical name: DDA-2TRYPT
• Formula: C32 H46 N4 O4
• Calculated formula: C32 H46 N4 O4
• SMILES: C(CCCCC(=O)[O-])CCCCCC(=O)[O-].C(Cc1c[nH]c2c1cccc2)[NH3+].C(Cc1c[nH]c2c1cccc2)[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: 6.4847 ± 0.0019 Å
• b: 7.741 ± 0.002 Å
• c: 16.693 ± 0.005 Å
• α: 91.501 ± 0.004°
• β: 98.704 ± 0.004°
• γ: 108.733 ± 0.004°
• Cell volume: 781.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1053
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No