Information card for entry 4087486

Structure parameters

• Formula: C28 H37 Cl2 N O3 Pd
• Calculated formula: C28 H37 Cl2 N O3 Pd
• SMILES: [Pd]1(Cl)(Cl)[OH]C(C(=[N]1c1c(cc(cc1C)C)C(c1ccccc1)c1ccccc1)C)(C)C.OC.OC
• Title of publication: Aerobic and Efficient Direct Arylation of Five-Membered Heteroarenes and Their Benzocondensed Derivatives with Aryl Bromides by Bulky α-Hydroxyimine Palladium Complexes
• Authors of publication: Luo, Bao-Tian; Liu, Huan; Lin, Zhi-Jie; Jiang, Jingxing; Shen, Dong-Sheng; Liu, Rui-Zhi; Ke, Zhuofeng; Liu, Feng-Shou
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 20
• Pages of publication: 4881
• a: 9.5147 ± 0.001 Å
• b: 23.218 ± 0.002 Å
• c: 13.0086 ± 0.0013 Å
• α: 90°
• β: 100.058 ± 0.002°
• γ: 90°
• Cell volume: 2829.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0925
• 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: No
• Has Fobs: No