Information card for entry 4103722

Structure parameters

• Formula: C58 H51 Au B F20 N2 O2 P
• Calculated formula: C58 H51 Au B F20 N2 O2 P
• SMILES: [Au]([P](c1c(N2CCOCC2)cccc1)(C12CC3CC(C1)CC(C2)C3)C12CC3CC(C1)CC(C2)C3)[NH]1CCOCC1.Fc1c(c(F)c(F)c(F)c1F)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Stereo- and Regioselective Gold-Catalyzed Hydroamination of Internal Alkynes with Dialkylamines
• Authors of publication: Kevin D. Hesp; Mark Stradiotto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 18026 - 18029
• a: 12.617 ± 0.0009 Å
• b: 12.7549 ± 0.001 Å
• c: 18.2237 ± 0.0014 Å
• α: 88.5121 ± 0.0008°
• β: 72.5456 ± 0.0007°
• γ: 80.7996 ± 0.0008°
• Cell volume: 2760.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0159
• Residual factor for significantly intense reflections: 0.0154
• Weighted residual factors for significantly intense reflections: 0.0409
• Weighted residual factors for all reflections included in the refinement: 0.0411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No