Information card for entry 1513448

Structure parameters

• Formula: C32 H56 Cu2 I2 N2 P2
• Calculated formula: C32 H56 Cu2 I2 N2 P2
• SMILES: [I]1[Cu]2([I][Cu]31[P](c1c([N]3(C)C)cccc1)(C(C)(C)C)C(C)(C)C)[P](c1c([N]2(C)C)cccc1)(C(C)(C)C)C(C)(C)C
• 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: 9.5602 ± 0.0008 Å
• b: 10.0738 ± 0.0008 Å
• c: 20.0433 ± 0.0016 Å
• α: 90°
• β: 103.413 ± 0.003°
• γ: 90°
• Cell volume: 1877.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No