Information card for entry 1515522

Structure parameters

• Formula: C27 H29 Au N2
• Calculated formula: C27 H29 Au N2
• SMILES: [Au](=C1N(c2c(C)cc(cc2C)C)C=CN1c1c(cc(cc1C)C)C)c1ccccc1
• Title of publication: Reactivity of NHC Au(i)‒C σ-bonds with electrophiles. An investigation of their possible involvement in catalytic C‒C bond formation
• Authors of publication: Johnson, Magnus T.; Marthinus Janse van Rensburg, J.; Axelsson, Martin; Ahlquist, Mårten S. G.; Wendt, Ola F.
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 12
• Pages of publication: 2373
• a: 9.9439 ± 0.0005 Å
• b: 15.6363 ± 0.0008 Å
• c: 16.4516 ± 0.0008 Å
• α: 79.47 ± 0.004°
• β: 83.978 ± 0.004°
• γ: 77.02 ± 0.004°
• Cell volume: 2445.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1177
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No