Information card for entry 4516644

Structure parameters

• Formula: C26 H44 N2 O6
• Calculated formula: C26 H44 N2 O6
• SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@H]1C[C@@H](O[C@@H]1CO)N1C(=O)NC(=O)C(=C1)C
• Title of publication: Surface-Tuned and Metal-Ion-Responsive Supramolecular Gels Based on Nucleolipids.
• Authors of publication: Nuthanakanti, Ashok; Srivatsan, Seergazhi G.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2017
• Journal volume: 9
• Journal issue: 27
• Pages of publication: 22864 - 22874
• a: 5.5928 ± 0.0008 Å
• b: 7.2712 ± 0.0011 Å
• c: 63.511 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2582.8 ± 0.7 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0826
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No