Information card for entry 7121841

Structure parameters

• Formula: C25 H34 N4 S
• Calculated formula: C25 H34 N4 S
• Title of publication: Unveiling the redox-active character of imidazolin-2-thiones derived from amino-substituted N-heterocyclic carbenes.
• Authors of publication: Ruamps, Mirko; Bastin, Stéphanie; Rechignat, Lionel; Sournia-Saquet, Alix; Valyaev, Dmitry A.; Mouesca, Jean-Marie; Lugan, Noël; Maurel, Vincent; César, Vincent
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 55
• Pages of publication: 7653 - 7656
• a: 15.443 ± 0.0013 Å
• b: 11.2028 ± 0.001 Å
• c: 15.4669 ± 0.0012 Å
• α: 90°
• β: 117.896 ± 0.003°
• γ: 90°
• Cell volume: 2364.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No