Information card for entry 1502837

Structure parameters

• Formula: C80 H108 Cl6 N4 P2 Pd2
• Calculated formula: C76 H76 Cl6 N4 P2 Pd2
• Title of publication: Tetra-ortho-substituted biaryls through palladium-catalyzed Suzuki-Miyaura couplings with a diaminochlorophosphine ligand.
• Authors of publication: Ackermann, Lutz; Potukuchi, Harish K.; Althammer, Andreas; Born, Robert; Mayer, Peter
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 1004 - 1007
• a: 11.3891 ± 0.0001 Å
• b: 18.0473 ± 0.0004 Å
• c: 19.6602 ± 0.0003 Å
• α: 90°
• β: 94.5867 ± 0.001°
• γ: 90°
• Cell volume: 4028.07 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0655
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1437
• 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: Yes
• Has Fobs: No