Information card for entry 7126291

Structure parameters

• Formula: C18 H19 N O3 S
• Calculated formula: C18 H19 N O3 S
• SMILES: S(=O)(=O)([O-])c1cc2c(cc1)cccc2.[NH3+]CCc1ccccc1
• Title of publication: A supramolecular hydrogel derived from a simple organic salt capable of proton conduction.
• Authors of publication: Chakraborty, Poulami; Das, Bikash; Pal, Pulak; Datta, Subhadeep; Bera, Sourabh; Dastidar, Parthasarathi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 39
• Pages of publication: 5251 - 5254
• a: 5.8765 ± 0.0017 Å
• b: 7.649 ± 0.002 Å
• c: 18.388 ± 0.005 Å
• α: 92.938 ± 0.004°
• β: 94.963 ± 0.004°
• γ: 93.182 ± 0.004°
• Cell volume: 820.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No