Information card for entry 7135616

Structure parameters

• Formula: C42 H61 K Mg N2 O4 S
• Calculated formula: C42 H61 K Mg N2 O4 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: 16.1294 ± 0.0014 Å
• b: 21.3984 ± 0.0018 Å
• c: 23.591 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8142.3 ± 1.2 ų
• Cell temperature: 180.01 K
• Ambient diffraction temperature: 180.01 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: 0.1639
• Residual factor for significantly intense reflections: 0.0967
• Weighted residual factors for significantly intense reflections: 0.2444
• Weighted residual factors for all reflections included in the refinement: 0.2875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No