Information card for entry 1567526

Structure parameters

• Formula: C28 H36 N2
• Calculated formula: C28 H36 N2
• Title of publication: Organocopper(ii) complexes: new catalysts for carbon–carbon bond formation via electrochemical atom transfer radical addition (eATRA)
• Authors of publication: Gonzálvez, Miguel A.; Su, Chuyi; Williams, Craig M.; Bernhardt, Paul V.
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 6.2887 ± 0.0006 Å
• b: 9.7101 ± 0.001 Å
• c: 10.801 ± 0.0014 Å
• α: 73.723 ± 0.011°
• β: 77.522 ± 0.01°
• γ: 79.838 ± 0.008°
• Cell volume: 613.42 ± 0.12 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0947
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 0.813
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No