Information card for entry 1567528

Structure parameters

• Formula: C10 H9 Br2 N
• Calculated formula: C10 H9 Br2 N
• 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: 6.3061 ± 0.0002 Å
• b: 13.0601 ± 0.0004 Å
• c: 13.0615 ± 0.0005 Å
• α: 90°
• β: 99.138 ± 0.004°
• γ: 90°
• Cell volume: 1062.07 ± 0.06 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No