Information card for entry 4516267

Structure parameters

• Formula: C34 H51 N O10 S
• Calculated formula: C34 H51 N O10 S
• SMILES: [N+](CCCC)(CCCC)(CCCC)CCCC.c1(c(c(cc(c1)c1ccc(cc1)c1cc(c(c(c1)O)O)O)O)O)O.S(=O)(=O)(O)[O-]
• Title of publication: Layered 2D Sheetlike Supramolecular Polymers Formed by O‒H···Anion Hydrogen Bonds
• Authors of publication: White, Nicholas G.; Carta, Veronica; MacLachlan, Mark J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 1540
• a: 19.796 ± 0.004 Å
• b: 17.583 ± 0.004 Å
• c: 23.652 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8233 ± 3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections: 0.1297
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9767
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No