Information card for entry 7126287

Structure parameters

• Formula: C13 H16 N O3.5 S
• Calculated formula: C12.999 H15.999 N O3.4997 S
• 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: 31.768 ± 0.008 Å
• b: 5.5762 ± 0.0012 Å
• c: 15.75 ± 0.003 Å
• α: 90°
• β: 108.619 ± 0.003°
• γ: 90°
• Cell volume: 2644 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1169
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No