Information card for entry 4064949

Structure parameters

• Formula: C32 H27 Au I N3
• Calculated formula: C32 H27 Au I N3
• SMILES: [Au](I)=C1N(c2c(N1C)cccc2)c1ccc2ccccc2c1c1c2ccccc2ccc1N1CCCC1
• 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: 12.8532 ± 0.0014 Å
• b: 7.4498 ± 0.0008 Å
• c: 14.7707 ± 0.0017 Å
• α: 90°
• β: 90.459 ± 0.002°
• γ: 90°
• Cell volume: 1414.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No