Information card for entry 1518212

Structure parameters

• Formula: C24 H18 Au N3 O4
• Calculated formula: C24 H18 Au N3 O4
• SMILES: c1cccc2c3ccc(cc3[Au](c3cccc(c3)N(=O)=O)(c3cccc(c3)N(=O)=O)[n]12)C
• Title of publication: Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)
• Authors of publication: Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 981
• a: 11.1263 ± 0.0003 Å
• b: 14.1527 ± 0.0004 Å
• c: 26.2319 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4130.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No