Information card for entry 4080876

Structure parameters

• Formula: C19 H24 Au N3 O2
• Calculated formula: C19 H24 Au N3 O2
• SMILES: C1(N(C=CN1C(C)(C)C)C(C)(C)C)=[Au]N1C(=O)c2c(C1=O)cccc2
• Title of publication: Synthesis and Reactivity of N-Heterocyclic Carbene Gold(I) and Gold(III) Imidate Complexes and Their Catalytic Activity in 1,5-Enyne Cycloisomerization
• Authors of publication: Reeds, Jonathan P.; Whitwood, Adrian C.; Healy, Mark P.; Fairlamb, Ian J. S.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 10
• Pages of publication: 3108
• a: 11.8766 ± 0.0006 Å
• b: 17.1592 ± 0.0009 Å
• c: 9.4378 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1923.36 ± 0.17 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0246
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.0456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No