Information card for entry 7109262

Structure parameters

• Formula: C19 H28 Au Cl N2
• Calculated formula: C19 H28 Au Cl N2
• SMILES: [Au](Cl)=C1N(CC2CN1CCC2)c1c(cccc1C(C)C)C(C)C
• Title of publication: Anti-Bredt N-heterocyclic carbene: an efficient ligand for the gold(I)-catalyzed hydroamination of terminal alkynes with parent hydrazine
• Authors of publication: Maria J. Lopez-Gomez; David Martin; Guy Bertrand
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 4483
• a: 9.8369 ± 0.0011 Å
• b: 17.341 ± 0.002 Å
• c: 11.3162 ± 0.0013 Å
• α: 90°
• β: 100.914 ± 0.001°
• γ: 90°
• Cell volume: 1895.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0257
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 0.789
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No