Information card for entry 1567530

Structure parameters

• Formula: C14 H12 Cl N
• Calculated formula: C14 H12 Cl 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: 11.6527 ± 0.0006 Å
• b: 16.617 ± 0.0008 Å
• c: 5.9865 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1159.18 ± 0.11 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No