Information card for entry 7134367

Structure parameters

• Chemical name: WJL20250220
• Formula: C31 H26 N2 O6
• Calculated formula: C31 H26 N2 O6
• Title of publication: Native group-directed double Heck arylation of internal alkenes via selective β-H elimination
• Authors of publication: Wang, Jiali; Luan, Runze; Liu, Tianming; Liu, Siqing; Du, Yu; Su, Weiping
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 35
• Pages of publication: 6526 - 6529
• a: 6.0191 ± 0.0001 Å
• b: 21.3231 ± 0.0003 Å
• c: 20.4562 ± 0.0003 Å
• α: 90°
• β: 90.459 ± 0.002°
• γ: 90°
• Cell volume: 2625.38 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No