Information card for entry 7156689

Structure parameters

• Formula: C24 H26 N O6 S
• Calculated formula: C25 H27 N O5 S
• Title of publication: Convenient access to 5-membered cyclic iminium ions: evidence for a stepwise [4 + 2] cycloaddition mechanism.
• Authors of publication: Freeman, Jared L.; Brimble, Margaret A.; Furkert, Daniel P.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 10
• Pages of publication: 2705 - 2714
• a: 11.1279 ± 0.0002 Å
• b: 6.767 ± 0.0001 Å
• c: 29.5619 ± 0.0004 Å
• α: 90°
• β: 97.073 ± 0.001°
• γ: 90°
• Cell volume: 2209.14 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No