Information card for entry 4103721

Structure parameters

• Formula: C31 H44 Au Cl3 N O P
• Calculated formula: C31 H44 Au Cl3 N O P
• SMILES: [Au](Cl)[P](c1c(N2CCOCC2)cccc1)(C12CC3CC(C1)CC(C2)C3)C12CC3CC(C1)CC(C2)C3.ClCCl
• 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: 19.9341 ± 0.0006 Å
• b: 10.8494 ± 0.0003 Å
• c: 13.9902 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3025.7 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0132
• Residual factor for significantly intense reflections: 0.0128
• Weighted residual factors for significantly intense reflections: 0.0331
• Weighted residual factors for all reflections included in the refinement: 0.0332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No