Information card for entry 4128523

Structure parameters

• Formula: C43 H55 Au Cl F3 N P
• Calculated formula: C43 H55 Au Cl F3 N P
• SMILES: [Au](Cl)[P](C12CC3CC(C1)CC(C2)C3)(C12CC3CC(C1)CC(C2)C3)c1cc(ccc1c1cccc2c1CCN([C@@H]2C1CCCCC1)C)C(F)(F)F
• Title of publication: Chiral Bifunctional Phosphine Ligand Enabling Gold-Catalyzed Asymmetric Isomerization of Alkyne to Allene and Asymmetric Synthesis of 2,5-Dihydrofuran.
• Authors of publication: Cheng, Xinpeng; Wang, Zhixun; Quintanilla, Carlos D.; Zhang, Liming
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 9
• Pages of publication: 3787 - 3791
• a: 12.81 ± 0.009 Å
• b: 10.578 ± 0.006 Å
• c: 14.298 ± 0.01 Å
• α: 90°
• β: 99.99 ± 0.02°
• γ: 90°
• Cell volume: 1908 ± 2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1175
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No