Information card for entry 1541907

Structure parameters

• Formula: C55 H82 N2 O8 S
• Calculated formula: C55 H82 N2 O8 S
• SMILES: s1c2c(cccc2)cc1C1C(=O)NC(=O)N(C=1)[C@@H]1O[C@@H]([C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@H]1OC(=O)CCCCCCCCCCCCCCC)CO.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: 5.385 ± 0.008 Å
• b: 9.274 ± 0.013 Å
• c: 25.69 ± 0.04 Å
• α: 92.65 ± 0.02°
• β: 95.509 ± 0.019°
• γ: 93.348 ± 0.02°
• Cell volume: 1273 ± 3 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: 0.2437
• Residual factor for significantly intense reflections: 0.1082
• Weighted residual factors for significantly intense reflections: 0.2511
• Weighted residual factors for all reflections included in the refinement: 0.3229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No