Information card for entry 4133650

Structure parameters

• Formula: C19 H20 F N O3 Si
• Calculated formula: C19 H20 F N O3 Si
• SMILES: [C@H]1([C@H](C(=CO1)[Si](C)(C)C)c1ccc(cc1)F)c1ccc(cc1)N(=O)=O.[C@@H]1([C@@H](C(=CO1)[Si](C)(C)C)c1ccc(cc1)F)c1ccc(cc1)N(=O)=O
• Title of publication: Bifunctional Biphenyl-2-ylphosphine Ligand Enables Tandem Gold-Catalyzed Propargylation of Aldehyde and Unexpected Cycloisomerization.
• Authors of publication: Li, Ting; Zhang, Liming
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 50
• Pages of publication: 17439 - 17443
• a: 6.84 ± 0.03 Å
• b: 7.717 ± 0.019 Å
• c: 18.32 ± 0.04 Å
• α: 81.71 ± 0.09°
• β: 85.48 ± 0.1°
• γ: 72.46 ± 0.07°
• Cell volume: 912 ± 5 ų
• Cell temperature: 111 ± 2 K
• Ambient diffraction temperature: 111 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1109
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.2064
• Weighted residual factors for all reflections included in the refinement: 0.2328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No