Information card for entry 1552389

Structure parameters

• Formula: C26 H20 Cl I N4 O S Zn
• Calculated formula: C26 H20 Cl I N4 O S Zn
• SMILES: Ic1c2O[Zn]34(Cl)[N](Cc2cc(c1)c1sc2c(n1)cccc2)(Cc1[n]4cccc1)Cc1[n]3cccc1
• Title of publication: Bifunctional Ligand Design for Modulating Mutant p53 Aggregation in Cancer
• Authors of publication: Miller, Jessica J.; Blanchet, Anais; Orvain, Christophe; Nouchikian, Lucienne; Reviriot, Yasmin; Clarke, Ryan M.; Martelino, Diego; Wilson, Derek; Gaiddon, Christian; Storr, Tim
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 15.5116 ± 0.0002 Å
• b: 13.167 ± 0.0002 Å
• c: 14.7344 ± 0.0002 Å
• α: 90°
• β: 116.841 ± 0.001°
• γ: 90°
• Cell volume: 2685.15 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0497
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No