Information card for entry 4108353

Structure parameters

• Formula: C8 H16 Cu I N2
• Calculated formula: C8 H16 Cu I N2
• SMILES: C1CC[C@H]2[C@H]3[NH]1[Cu](I)[NH]2CCC3
• Title of publication: Mechanistic Study of Asymmetric Oxidative Biaryl Coupling: Evidence for Self-Processing of the Copper Catalyst to Achieve Control of Oxidase vs Oxygenase Activity
• Authors of publication: J. Brian Hewgley; Shannon S. Stahl; Marisa C. Kozlowski
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 12232 - 12233
• a: 8.9975 ± 0.0015 Å
• b: 12.9799 ± 0.0019 Å
• c: 9.8043 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1145 ± 0.3 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No