Information card for entry 7118348

Structure parameters

• Formula: C38 H70 Na3 O32 S3
• Calculated formula: C38 H29 Na2.33333 O20 S3
• SMILES: S(=O)(=O)([O-])c1cc2c(O)c(c1)Cc1c(O)c(cc(S(=O)(=O)[O-])c1)Cc1c(O)c(cc(S(=O)(=O)[O-])c1)Cc1c(O)c(cc(c1)c1ccc(cc1)C(C)(C)C)C2.[Na+].[Na+].[Na+].O.O.O.O.O.O.O
• Title of publication: Attraction by repulsion: compounds with like charges undergo self-assembly in water that improves in high salt and persists in real biological fluids.
• Authors of publication: Garnett, Graham A. E.; Daze, Kevin D.; Peña Diaz, Jorge A; Fagen, Noah; Shaurya, Alok; Ma, Manuel C. F.; Collins, Mary S.; Johnson, Darren W.; Zakharov, Lev N.; Hof, Fraser
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 13
• Pages of publication: 2768 - 2771
• a: 27.0902 ± 0.0013 Å
• b: 27.0902 ± 0.0013 Å
• c: 30.1891 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 19186.9 ± 1.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.0989
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.2433
• Weighted residual factors for all reflections included in the refinement: 0.267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No