Information card for entry 1541908

Structure parameters

• Formula: C51 H74 N2 O8 S
• Calculated formula: C51 H74 N2 O8 S
• SMILES: s1c(C2C(=O)NC(=O)N(C=2)[C@@H]2O[C@@H]([C@@H](OC(=O)CCCCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCCCC)CO)cc2c1cccc2.c1ccccc1
• 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: 5.4174 ± 0.0005 Å
• b: 9.3296 ± 0.0009 Å
• c: 24.033 ± 0.002 Å
• α: 95.858 ± 0.002°
• β: 92.994 ± 0.002°
• γ: 93.33 ± 0.002°
• Cell volume: 1204.23 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1557
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No