Information card for entry 1513449

Structure parameters

• Formula: C32 H56 Cu2 F2 N2 P2
• Calculated formula: C32 H56 Cu2 F2 N2 P2
• SMILES: [Cu]12([P](c3c([N]2(C)C)cccc3)(C(C)(C)C)C(C)(C)C)[F][Cu]2([P](c3c([N]2(C)C)cccc3)(C(C)(C)C)C(C)(C)C)[F]1
• Title of publication: Copper-Catalyzed Suzuki-Miyaura Coupling of Arylboronate Esters: Transmetalation with (PN)CuF and Identification of Intermediates.
• Authors of publication: Gurung, Santosh K.; Thapa, Surendra; Kafle, Arjun; Dickie, Diane A.; Giri, Ramesh
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 4
• Pages of publication: 1264 - 1267
• a: 8.4927 ± 0.0013 Å
• b: 8.7287 ± 0.0015 Å
• c: 12.6862 ± 0.0018 Å
• α: 86.989 ± 0.011°
• β: 76.97 ± 0.011°
• γ: 68.516 ± 0.01°
• Cell volume: 852.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No