Information card for entry 1552390

Structure parameters

• Formula: C26 H21 Cl N4 O S Zn
• Calculated formula: C26 H21 Cl N4 O S Zn
• SMILES: [Zn]123(Oc4c(C[N]3(Cc3[n]2cccc3)Cc2[n]1cccc2)cc(cc4)c1sc2c(n1)cccc2)Cl
• 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: 13.2978 ± 0.0007 Å
• b: 14.2388 ± 0.0007 Å
• c: 15.8108 ± 0.0009 Å
• α: 101.656 ± 0.002°
• β: 99.123 ± 0.003°
• γ: 99.532 ± 0.002°
• Cell volume: 2833.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.02 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No