Information card for entry 1576228

Structure parameters

• Formula: C12 H12 O12
• Calculated formula: C12 H12 O12
• Title of publication: Nickel-catalyzed aminocarbonylation of aryl chlorides enabled by a newly designed CO source
• Authors of publication: Liu, Zhen-Wei; Wang, Yuanrui; A., Ru-Han; Wu, Xiao-Feng
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 15.7617 ± 0.0007 Å
• b: 12.2724 ± 0.0005 Å
• c: 15.968 ± 0.0008 Å
• α: 90°
• β: 105.204 ± 0.005°
• γ: 90°
• Cell volume: 2980.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0706
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1569
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No