Information card for entry 4516643

Structure parameters

• Formula: C22 H36 N2 O6
• Calculated formula: C22 H36 N2 O6
• SMILES: O=C1NC(=O)N(C=C1C)[C@@H]1O[C@@H]([C@@H](OC(=O)CCCCCCCCCCC)C1)CO
• 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: 5.6365 ± 0.0019 Å
• b: 7.316 ± 0.002 Å
• c: 54.623 ± 0.018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2252.5 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0414
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 0.702
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No