Information card for entry 7155712

Structure parameters

• Formula: C26 H32 Cl2 N2 Pd
• Calculated formula: C26 H32 Cl2 N2 Pd
• SMILES: [Pd]1([N](c2c(cccc2C)C)=C2C(=[N]1c1c(cccc1C)C)[C@]1(C(C)([C@@H]2CC1)C)C)(Cl)Cl.[Pd]1([N](c2c(cccc2C)C)=C2C(=[N]1c1c(cccc1C)C)[C@@]1(C(C)([C@H]2CC1)C)C)(Cl)Cl
• Title of publication: Camphyl-based α-Diimine Palladium Complexes: Highly Efficient Precatalysts for Direct Arylation of Thiazoles in Open-Air
• Authors of publication: Chen, Fu-Min; Lu, Dong-Dong; Hu, Li-Qun; Huang, Ju; Liu, Feng-Shou
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 15.1069 ± 0.0003 Å
• b: 18.0326 ± 0.0004 Å
• c: 18.7735 ± 0.0004 Å
• α: 90°
• β: 100.397 ± 0.002°
• γ: 90°
• Cell volume: 5030.24 ± 0.19 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.059
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No