Information card for entry 7134841

Structure parameters

• Chemical name: (4S,4aR,4bS,5R,11S,11aR)-4,8-diphenyl-4,4a,4b,5-tetrahydro-7H,11H-5,11-ethenothiopyrano[2',3':1,3]cyclopropa[1,2-d][1,2,4]triazolo[1,2-a]pyridazine-2,7,9(3H,8H)-trione
• Formula: C24 H19 N3 O3 S
• Calculated formula: C24 H19 N3 O3 S
• Title of publication: Divergent hetero-[8+<i>n</i>] higher order cycloadditions of tropothione and enals catalyzed by <i>N</i>-heterocyclic carbenes.
• Authors of publication: Dybowska, Joanna; Przydacz, Artur; Olczyk, Weronika; Sieroń, Lesław; Skrzyńska, Anna; Albrecht, Łukasz
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 65
• Pages of publication: 12119 - 12122
• a: 11.5801 ± 0.0001 Å
• b: 5.9732 ± 0.0001 Å
• c: 15.349 ± 0.0001 Å
• α: 90°
• β: 107.687 ± 0.001°
• γ: 90°
• Cell volume: 1011.51 ± 0.02 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No