Information card for entry 7157482

Structure parameters

• Formula: C80 H56 N8 O40
• Calculated formula: C80 H56 N8 O40
• Title of publication: Ni(ii)-Catalyzed vinylic C-H functionalization of 2-acetamido-3-arylacrylates to access isotetronic acids.
• Authors of publication: Roy, Biswajit; Das, Eshani; Roy, Avijit; Mal, Dipakranjan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 19
• Pages of publication: 3697 - 3706
• a: 25.689 ± 0.005 Å
• b: 10.003 ± 0.002 Å
• c: 7.418 ± 0.002 Å
• α: 90 ± 0.03°
• β: 105.62 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 1835.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.091
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No