Information card for entry 1577431

Structure parameters

• Chemical name: 2,5,6,7-Tetrahydro-3H-pyrrolo[1,2-a]imidazole (TsOH salt)
• Formula: C13 H18 N2 O3 S
• Calculated formula: C13 H18 N2 O3 S
• Title of publication: Direct access to 2-imidazolines from unactivated alkenes
• Authors of publication: Schiele, Stefanie; Paschke, Ann-Sophie K.; Romiti, Giorgia; Morandi, Bill
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 7.7318 ± 0.0001 Å
• b: 20.8161 ± 0.0002 Å
• c: 8.6237 ± 0.0001 Å
• α: 90°
• β: 107.755 ± 0.001°
• γ: 90°
• Cell volume: 1321.84 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0323
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No