Information card for entry 1549861

Structure parameters

• Formula: C12 H12 Cu N2 O6
• Calculated formula: C12 H12 Cu N2 O6
• Title of publication: Copper catalyzed photoredox synthesis of α-keto esters, quinoxaline, and naphthoquinone: controlled oxidation of terminal alkynes to glyoxals.
• Authors of publication: Das, Deb Kumar; Kumar Pampana, V. Kishore; Hwang, Kuo Chu
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 37
• Pages of publication: 7318 - 7326
• a: 5.0866 ± 0.0004 Å
• b: 7.5068 ± 0.0005 Å
• c: 9.0684 ± 0.0006 Å
• α: 76.038 ± 0.002°
• β: 85.125 ± 0.002°
• γ: 72.229 ± 0.001°
• Cell volume: 319.98 ± 0.04 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0172
• Residual factor for significantly intense reflections: 0.0172
• Weighted residual factors for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.0442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No