Information card for entry 1541910

Structure parameters

• Formula: C46.5 H71.5 N2.5 O9.5
• Calculated formula: C46.5 H71.5 N2.5 O9.5
• SMILES: O(C(=O)CCCCCCCCCCCCC)[C@H]1[C@@H](OC(=O)CCCCCCCCCCCCC)[C@@H](O[C@@H]1N1C(=O)NC(=O)C(=C1)c1oc2c(c1)cccc2)CO.O=CN(C)C
• Title of publication: Hierarchical self-assembly of switchable nucleolipid supramolecular gels based on environmentally-sensitive fluorescent nucleoside analogs.
• Authors of publication: Nuthanakanti, Ashok; Srivatsan, Seergazhi G.
• Journal of publication: Nanoscale
• Year of publication: 2016
• Journal volume: 8
• Journal issue: 6
• Pages of publication: 3607 - 3619
• a: 8.615 ± 0.003 Å
• b: 11.124 ± 0.004 Å
• c: 25.315 ± 0.009 Å
• α: 101.343 ± 0.007°
• β: 91.424 ± 0.007°
• γ: 109.601 ± 0.006°
• Cell volume: 2229.9 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1361
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No