Information card for entry 4064948

Structure parameters

• Formula: C40 H32 Au2 I2 N6
• Calculated formula: C40 H32 Au2 I2 N6
• SMILES: [Au](I)=C1N(c2ccccc2N1c1ccc2ccccc2c1c1c2ccccc2ccc1N1C(=[Au]I)N(c2ccccc12)C)C.N#CC.N#CC
• Title of publication: Axially Chiral N-Heterocyclic Carbene Gold(I) Complex Catalyzed Asymmetric Cycloisomerization of 1,6-Enynes
• Authors of publication: Wang, Wenfeng; Yang, Jinming; Wang, Feijun; Shi, Min
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 14
• Pages of publication: 3859
• a: 9.3794 ± 0.0009 Å
• b: 10.4522 ± 0.001 Å
• c: 20.784 ± 0.002 Å
• α: 85.843 ± 0.002°
• β: 77.783 ± 0.002°
• γ: 80.838 ± 0.002°
• Cell volume: 1964.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No