Information card for entry 4064947

Structure parameters

• Formula: C32 H27 Au Cl4 I N3 O
• Calculated formula: C32 H27 Au Cl4 I N3 O
• SMILES: [Au](I)=C1N(c2ccccc2N1c1ccc2ccccc2c1c1c2ccccc2ccc1NC(=O)C)C.ClCCl.ClCCl
• 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: 7.615 ± 0.0013 Å
• b: 14.252 ± 0.002 Å
• c: 30.775 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3340 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No