Information card for entry 7135613

Structure parameters

• Formula: C41 H61 K Mg N2 O2 S
• Calculated formula: C41 H61 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: 17.84 ± 0.04 Å
• b: 13.453 ± 0.014 Å
• c: 36.71 ± 0.04 Å
• α: 90°
• β: 101.14 ± 0.05°
• γ: 90°
• Cell volume: 8644 ± 2 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No