Information card for entry 4315589

Structure parameters

• Formula: C15 H19 Au Cl N3 O
• Calculated formula: C15 H19 Au Cl N3 O
• SMILES: [Au](Cl)=C1N(C=NN1CC(=O)C(C)(C)C)Cc1ccccc1
• Title of publication: Highly Convenient Regioselective Intermolecular Hydroamination of Alkynes Yielding Ketimines Catalyzed by Gold(I) Complexes of 1,2,4-triazole Based N-heterocyclic Carbenes
• Authors of publication: Chandrakanta Dash; Mobin M. Shaikh; Ray J. Butcher; Prasenjit Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4972 - 4983
• a: 9.4899 ± 0.0004 Å
• b: 8.7444 ± 0.0004 Å
• c: 9.9711 ± 0.0004 Å
• α: 90°
• β: 95.364 ± 0.004°
• γ: 90°
• Cell volume: 823.81 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No