Information card for entry 4023704

Structure parameters

• Formula: C28 H23 Br Cu N2 P
• Calculated formula: C28 H23 Br Cu N2 P
• SMILES: [Cu]1(Br)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2ccccc2c2[n]1cccc2
• Title of publication: An Efficient Ullmann-Type C-O Bond Formation Catalyzed by an Air-Stable Copper(I)-Bipyridyl Complex
• Authors of publication: Jiajia Niu; Hua Zhou; Zhigang Li; Jingwei Xu; Shaojing Hu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 7814 - 7817
• a: 33.585 ± 0.006 Å
• b: 9.3792 ± 0.0016 Å
• c: 18.854 ± 0.003 Å
• α: 90°
• β: 123.208 ± 0.002°
• γ: 90°
• Cell volume: 4969 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No