Information card for entry 1503326

Structure parameters

• Formula: C25 H28 Cl4 Pd
• Calculated formula: C25 H28 Cl4 Pd
• SMILES: [Pd]123(Cl)(Cl)[C]4(=[CH]1C[C@H]1[C@@H]4C[CH]2=[C]31c1cc(cc(c1)C)C)c1cc(cc(c1)C)C.ClCCl
• 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: 11.846 ± 0.0008 Å
• b: 13.2656 ± 0.0009 Å
• c: 15.6468 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2458.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No