Information card for entry 7126290

Structure parameters

• Formula: C17 H17 N O3 S
• Calculated formula: C17 H17 N O3 S
• SMILES: S(=O)(=O)([O-])c1ccccc1.[NH3+]Cc1c2c(ccc1)cccc2
• 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: 5.432 ± 0.008 Å
• b: 9.545 ± 0.014 Å
• c: 15.32 ± 0.02 Å
• α: 96.31 ± 0.02°
• β: 93.878 ± 0.019°
• γ: 97.64 ± 0.019°
• Cell volume: 779.8 ± 1.9 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: 0.0688
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No