Information card for entry 7002029

Structure parameters

• Formula: C19 H25 Au Br3 N3 O3
• Calculated formula: C19 H25 Au Br3 N3 O3
• SMILES: [Au](Br)(Br)(Br)=C1N(C=CN1C(C)(C)C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)OC
• Title of publication: Synthesis, structural characterisation and anti-proliferative activity of NHC gold amino acid and peptide conjugates
• Authors of publication: Lemke, Jessica; Pinto, Antonio; Niehoff, Philip; Vasylyeva, Vera; Metzler-Nolte, Nils
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 7063
• a: 8.452 ± 0.004 Å
• b: 9.212 ± 0.004 Å
• c: 15.756 ± 0.007 Å
• α: 90°
• β: 92.894 ± 0.009°
• γ: 90°
• Cell volume: 1225.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No