Information card for entry 4085642

Structure parameters

• Formula: C32 H42 Au Cl N2
• Calculated formula: C32 H42 Au Cl N2
• SMILES: [Au](Cl)=C1n2c(=CN1C13CC4CC(C1)CC(C3)C4)cccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C
• Title of publication: Chiral, Sterically Demanding N-Heterocyclic Carbenes Fused into a Heterobiaryl Skeleton: Design, Synthesis, and Structural Analysis
• Authors of publication: Espina, Manuela; Rivilla, Ivan; Conde, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M.
• Journal of publication: Organometallics
• Year of publication: 2015
• Pages of publication: 150320082744001
• a: 13.7365 ± 0.0008 Å
• b: 17.7992 ± 0.0007 Å
• c: 13.0475 ± 0.0005 Å
• α: 90°
• β: 118.173 ± 0.002°
• γ: 90°
• Cell volume: 2812.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No