Information card for entry 7152882

Structure parameters

• Formula: C37 H33 Au F3 N2 O4 P S
• Calculated formula: C37 H33 Au F3 N2 O4 P S
• SMILES: c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Au]N([C@H](Cc1c2c(cccc2)[nH]c1)C(=O)OC)S(=O)(=O)C(F)(F)F.c1ccccc1
• Title of publication: Gold amides as anticancer drugs: synthesis and activity studies.
• Authors of publication: Newcombe, Sonya; Bobin, Mariusz; Shrikhande, Amruta; Gallop, Chris; Pace, Yannick; Yong, Helen; Gates, Rebecca; Chaudhuri, Shuvashri; Roe, Mark; Hoffmann, Eva; Viseux, Eddy M. E.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 19
• Pages of publication: 3255 - 3260
• a: 11.581 ± 0.0002 Å
• b: 13.095 ± 0.0003 Å
• c: 13.0305 ± 0.0003 Å
• α: 90°
• β: 114.426 ± 0.001°
• γ: 90°
• Cell volume: 1799.25 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No