Information card for entry 1573605

Structure parameters

• Chemical name: ddaamn
• Formula: C22 H39 N O4
• Calculated formula: C22 H39 N O4
• SMILES: [O-]C(=O)CCCCCCCCCCC(=O)O.[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: 6.657 ± 0.004 Å
• b: 13.21 ± 0.007 Å
• c: 13.286 ± 0.007 Å
• α: 106.992 ± 0.008°
• β: 91.051 ± 0.008°
• γ: 96.242 ± 0.008°
• Cell volume: 1109.2 ± 1.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 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: 0.0873
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No