Information card for entry 1515174

Structure parameters

• Formula: C18 H21 Au N3 P
• Calculated formula: C18 H21 Au N3 P
• SMILES: [Au]([P](CC)(CC)c1ccccc1)c1c(nn[nH]1)c1ccccc1
• Title of publication: A spontaneous gold(i)-azide alkyne cycloaddition reaction yields gold-peptide bioconjugates which overcome cisplatin resistance in a p53-mutant cancer cell line
• Authors of publication: Köster, S. David; Alborzinia, Hamed; Can, Suzan; Kitanovic, Igor; Wölfl, Stefan; Rubbiani, Riccardo; Ott, Ingo; Riesterer, Phillip; Prokop, Aram; Merz, Klaus; Metzler-Nolte, Nils
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 6
• Pages of publication: 2062
• a: 10.131 ± 0.003 Å
• b: 16.286 ± 0.006 Å
• c: 22.312 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3681 ± 2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No