Information card for entry 7106371

Structure parameters

• Formula: C35 H45 Au N2 O2
• Calculated formula: C35 H45 Au N2 O2
• SMILES: [Au](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1c(OC)cccc1OC
• Title of publication: Decarboxylation of aromatic carboxylic acids by gold(I)-N-heterocyclic carbene (NHC) complexes
• Authors of publication: Stephanie Dupuy; Faima Lazreg; Alexandra M. Z. Slawin; Catherine S. J. Cazin; Steven P. Nolan
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 5455
• a: 20.781 ± 0.004 Å
• b: 15.622 ± 0.003 Å
• c: 22.1 ± 0.005 Å
• α: 90°
• β: 110.115 ± 0.004°
• γ: 90°
• Cell volume: 6737 ± 2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No