Information card for entry 7160621

Structure parameters

• Formula: C20 H21 N3 O S2
• Calculated formula: C20 H21 N3 O S2
• Title of publication: Multi-purpose thiocyanate protic ionic liquids in chemodivergent transformations of imidazolidin-2-(thi)one-based diols.
• Authors of publication: Ermolaev, Valery P.; Ratmanova, Nina K.; Baranov, Vladimir V.; Levina, Irina I.; Khrustalev, Victor N.; Ivanova, Olga A.; Kravchenko, Angelina N.; Trushkov, Igor V.; Andreev, Ivan A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 30
• Pages of publication: 7157 - 7164
• a: 8.1644 ± 0.0003 Å
• b: 9.0953 ± 0.0004 Å
• c: 13.4123 ± 0.0007 Å
• α: 72.506 ± 0.004°
• β: 77.901 ± 0.004°
• γ: 83.548 ± 0.003°
• Cell volume: 927.5 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0316
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No