Information card for entry 4023703

Structure parameters

• Formula: C54 H45 Br Cu P3
• Calculated formula: C54 H45 Br Cu P3
• SMILES: [Cu](Br)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 13.3045 ± 0.0019 Å
• b: 14.323 ± 0.002 Å
• c: 14.83 ± 0.002 Å
• α: 71.869 ± 0.002°
• β: 83.843 ± 0.003°
• γ: 88.757 ± 0.003°
• Cell volume: 2669.9 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1198
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No