Information card for entry 7135620

Structure parameters

• Formula: C40 H53 K Mg N2 O S
• Calculated formula: C40 H53 K Mg N2 O 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: 38.2556 ± 0.0019 Å
• b: 10.5263 ± 0.0006 Å
• c: 19.3654 ± 0.0011 Å
• α: 90°
• β: 93.559 ± 0.002°
• γ: 90°
• Cell volume: 7783.2 ± 0.7 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: 0.1318
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.2285
• Weighted residual factors for all reflections included in the refinement: 0.2519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No