Information card for entry 7134832

Structure parameters

• Formula: C18 H18 Cl N O2
• Calculated formula: C18 H18 Cl N O2
• Title of publication: Sulfoxonium ylides as carbon radical precursors in three-component carbohalogenation of alkenes
• Authors of publication: Xian, Ning; Yin, Jiang; Ji, Xiaochen; Huang, Huawen
• Journal of publication: Chemical Communications
• Year of publication: 2025
• a: 12.3189 ± 0.0016 Å
• b: 8.9755 ± 0.0011 Å
• c: 28.721 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3175.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No