Information card for entry 1513450

Structure parameters

• Formula: C22 H33 Cu N P
• Calculated formula: C22 H33 Cu N P
• SMILES: [Cu]1([P](c2c([N]1(C)C)cccc2)(C(C)(C)C)C(C)(C)C)c1ccccc1
• 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: 18.6292 ± 0.0013 Å
• b: 9.3181 ± 0.0008 Å
• c: 12.5012 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2170.1 ± 0.3 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1178
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No