Information card for entry 7135617

Structure parameters

• Formula: C40 H59 K Mg N2 O2 S
• Calculated formula: C40 H59 K Mg N2 O2 S
• Title of publication: Direct C-H magnesiation of thiophenes with a Mg-Mg-bonded compound
• Authors of publication: Yang, Li; Sun, Zhenzhou; Wang, Lin; Geng, Jianqi; Wu, Biao; Yang, Xiao-Juan
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 15.971 ± 0.004 Å
• b: 22.01 ± 0.005 Å
• c: 22.603 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7945 ± 3 ų
• Cell temperature: 180.15 K
• Ambient diffraction temperature: 180.15 K
• Number of distinct elements: 7
• 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: 0.1796
• Residual factor for significantly intense reflections: 0.0942
• Weighted residual factors for significantly intense reflections: 0.2287
• Weighted residual factors for all reflections included in the refinement: 0.2797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No