Information card for entry 4104577

Structure parameters

• Common name: Cyclic (Alkyl)(Amino)CarbeneAuCl
• Formula: C25 H37 Au Cl N
• Calculated formula: C25 H37 Au Cl N
• SMILES: [Au](Cl)=C1N(C(C[C@]21[C@H](C=C(CC2)C)C)(C)C)c1c(cccc1C(C)C)C(C)C.[Au](Cl)=C1N(C(C[C@@]21[C@@H](C=C(CC2)C)C)(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis of a Simplified Version of Stable Bulky and Rigid Cyclic (Alkyl)(amino)carbenes, and Catalytic Activity of the Ensuing Gold(I) Complex in the Three-Component Preparation of 1,2-Dihydroquinoline Derivatives
• Authors of publication: Xiaoming Zeng; Guido D. Frey; Rei Kinjo; Bruno Donnadieu; Guy Bertrand
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 8690 - 8696
• a: 11.3839 ± 0.0006 Å
• b: 10.1664 ± 0.0005 Å
• c: 21.0984 ± 0.0011 Å
• α: 90°
• β: 101.554 ± 0.002°
• γ: 90°
• Cell volume: 2392.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No