Information card for entry 7110018

Structure parameters

• Formula: C31 H49 Au N2 O3
• Calculated formula: C31 H47 Au N2 O3
• SMILES: [Au](OOC(C)(C)C)=C1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.O
• Title of publication: Synthesis, characterisation, and oxygen atom transfer reactions involving the first gold(I)-alkylperoxo complexes
• Authors of publication: Alba Collado; Adrian Gomez-Suarez; Yoshihiro Oonishi; Alexandra M. Z. Slawin; Steven P. Nolan
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 10745
• a: 31.468 ± 0.006 Å
• b: 31.468 ± 0.009 Å
• c: 22.212 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120 ± 0.019°
• Cell volume: 19048 ± 9 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.2501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No