Information card for entry 4087490

Structure parameters

• Formula: C32 H33 N O
• Calculated formula: C32 H33 N O
• SMILES: N(=C(C(c1ccccc1)(c1ccccc1)O)\c1ccccc1)\c1c(cccc1C(C)C)C(C)C
• 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: 15.0704 ± 0.0005 Å
• b: 10.5766 ± 0.0004 Å
• c: 17.322 ± 0.0007 Å
• α: 90°
• β: 112.425 ± 0.004°
• γ: 90°
• Cell volume: 2552.23 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0554
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No