Information card for entry 1573608

Structure parameters

• Chemical name: AZELAIC-2AMN
• Formula: C29 H50 N2 O4
• Calculated formula: C29 H50 N2 O4
• SMILES: [O-]C(=O)CCCCCCCC(=O)[O-].[NH3+]C12CC3CC(C1)CC(C2)C3.[NH3+]C12CC3CC(C1)CC(C2)C3
• 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: 20.775 ± 0.019 Å
• b: 6.448 ± 0.006 Å
• c: 21.727 ± 0.019 Å
• α: 90°
• β: 97.79 ± 0.03°
• γ: 90°
• Cell volume: 2884 ± 5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1213
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1541
• Weighted residual factors for all reflections included in the refinement: 0.186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No