Information card for entry 7129913

Structure parameters

• Formula: C21 H25 N O4 S
• Calculated formula: C21 H25 N O4 S
• SMILES: S(=O)(=O)(N[C@H]1[C@](C(=O)OCc2ccccc2)(CCC1)C)c1ccc(cc1)C.S(=O)(=O)(N[C@@H]1[C@@](C(=O)OCc2ccccc2)(CCC1)C)c1ccc(cc1)C
• 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: 13.4901 ± 0.0009 Å
• b: 9.8844 ± 0.0007 Å
• c: 15.6641 ± 0.0011 Å
• α: 90°
• β: 104.766 ± 0.002°
• γ: 90°
• Cell volume: 2019.7 ± 0.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0567
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No