Information card for entry 7135621

Structure parameters

• Formula: C42 H63 K Mg N2 O2 S
• Calculated formula: C42 H63 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: 16.0887 ± 0.0019 Å
• b: 21.608 ± 0.003 Å
• c: 23.849 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8291 ± 1.8 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 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: 0.1759
• Residual factor for significantly intense reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.2257
• Weighted residual factors for all reflections included in the refinement: 0.2818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No