Information card for entry 4131631

Structure parameters

• Common name: LC7
• Formula: C36 H49 Cl F P Pd
• Calculated formula: C36 H49 Cl F P Pd
• SMILES: [Pd](c1ccc(F)cc1)(Cl)[P](C12CC3CC(C2)CC(C1)C3)(C12CC3CC(CC(C1)C3)C2)C12CC3CC(C1)CC(C2)C3
• Title of publication: "Cationic" Suzuki-Miyaura Coupling with Acutely Base-Sensitive Boronic Acids.
• Authors of publication: Chen, Liye; Sanchez, Daniel R.; Zhang, Bufan; Carrow, Brad P.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 36
• Pages of publication: 12418 - 12421
• a: 10.0649 ± 0.0007 Å
• b: 17.7723 ± 0.0012 Å
• c: 17.206 ± 0.0012 Å
• α: 90°
• β: 98.0448 ± 0.0015°
• γ: 90°
• Cell volume: 3047.5 ± 0.4 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: 0.0433
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No