Information card for entry 4082990

Structure parameters

• Formula: C29 H42 Au Cl N2 O2
• Calculated formula: C29 H42 Au Cl N2 O2
• SMILES: C1(N(CCN1c1c(cc(cc1C(C)C)OC)C(C)C)c1c(cc(cc1C(C)C)OC)C(C)C)=[Au]Cl
• Title of publication: Methoxy-FunctionalizedN-Heterocyclic Carbenes
• Authors of publication: Nelson, David J.; Collado, Alba; Manzini, Simone; Meiries, Sebastien; Slawin, Alexandra M. Z.; Cordes, David B.; Nolan, Steven P.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 8
• Pages of publication: 2048
• a: 15.436 ± 0.004 Å
• b: 22.566 ± 0.005 Å
• c: 8.2324 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2867.6 ± 1.1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 0.749
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No