Information card for entry 1503325

Structure parameters

• Formula: C20 H18 Cl2 Pd
• Calculated formula: C20 H18 Cl2 Pd
• SMILES: [Pd]123(Cl)(Cl)[C]4([C@H]5C[CH]1=[C]3([C@H]5C[CH]2=4)c1ccccc1)c1ccccc1
• Title of publication: Chiral diene as the ligand for the synthesis of axially chiral compounds via palladium-catalyzed Suzuki-Miyaura coupling reaction.
• Authors of publication: Zhang, Shu-Sheng; Wang, Zhi-Qian; Xu, Ming-Hua; Lin, Guo-Qiang
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 23
• Pages of publication: 5546 - 5549
• a: 7.61 ± 0.0007 Å
• b: 16.8437 ± 0.0015 Å
• c: 13.2376 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1696.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No