Information card for entry 7129914

Structure parameters

• Formula: C21 H25 N O4 S
• Calculated formula: C21 H25 N O4 S
• Title of publication: Electricity mediated [3+2]-cycloaddition of N-sulfonylcyclopropanes with olefins via N-centered radical intermediates: access to cyclopentane analogs
• Authors of publication: Saha, Debarshi; Taily, Irshad Maajid; Banerjee, Nakshatra; Banerjee, Prabal
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 15.4139 ± 0.0012 Å
• b: 8.4945 ± 0.0006 Å
• c: 17.2042 ± 0.0015 Å
• α: 90°
• β: 112.732 ± 0.002°
• γ: 90°
• Cell volume: 2077.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0764
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No