Information card for entry 7154835

Structure parameters

• Formula: C35 H25 Cl F6 N2 O2 Pt S2
• Calculated formula: C35 H25 Cl F6 N2 O2 Pt S2
• SMILES: c12ccccc1sc1c2[Pt]2(c3c4ccccc4sc3C(C(F)(F)F)=[N]2c2ccc(cc2)OC)(C)([N](=C1C(F)(F)F)c1ccc(cc1)OC)Cl
• Title of publication: Design, synthesis and antiproliferative activity of the new conjugates of E7010 and resveratrol as tubulin polymerization inhibitors.
• Authors of publication: Kamal, Ahmed; Ashraf, Md; Basha, Shaik Thokhir; Ali Hussaini, S. M.; Singh, Shamshair; Vishnuvardhan, M. V. P. S.; Kiran, Boppana; Sridhar, Balasubramanian
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 4
• Pages of publication: 1382 - 1394
• a: 13.4868 ± 0.0014 Å
• b: 15.2064 ± 0.0016 Å
• c: 17.7733 ± 0.0019 Å
• α: 90°
• β: 107.75 ± 0.002°
• γ: 90°
• Cell volume: 3471.5 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No