Information card for entry 4079658

Structure parameters

• Formula: C27 H36 Au Cl N2 O2
• Calculated formula: C27 H36 Au Cl N2 O2
• SMILES: [Au](Cl)=C1N(C=CN1[C@@H](C(C)(C)C)c1c(OC)cccc1)[C@@H](C(C)(C)C)c1ccccc1OC
• Title of publication: Chiral N-Heterocyclic Carbene Gold Complexes: Synthesis, Properties, and Application in Asymmetric Catalysis
• Authors of publication: Banerjee, Dipshikha; Buzas, Andrea K.; Besnard, Céline; Kündig, E. Peter
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 23
• Pages of publication: 8348
• a: 16.1135 ± 0.0006 Å
• b: 16.1135 ± 0.0006 Å
• c: 42.1276 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10938.2 ± 0.6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180.15 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No