Information card for entry 1503327

Structure parameters

• Formula: C41 H38 Cl4 Rh2
• Calculated formula: C41 H36 Cl4 Rh2
• SMILES: [Rh]1234([Cl][Rh]567([Cl]1)[C]1([C@@H]8[C@H](C[CH]5=1)[C]6(=[CH]7C8)c1ccccc1)c1ccccc1)[CH]1C[C@H]5[C@@H]([C]2=1c1ccccc1)C[CH]3=[C]45c1ccccc1.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: 9.9003 ± 0.0007 Å
• b: 10.2094 ± 0.0007 Å
• c: 35.051 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3542.8 ± 0.5 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: 0.0497
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No