Information card for entry 7218593

Structure parameters

• Formula: C28 H18 Cu O12
• Calculated formula: C28 H18 Cu O12
• SMILES: [Cu]12(Oc3c(cc(c4c3C(c3c(C4=O)cccc3)=[O]1)O)O)[O]=C1c3c(C(=O)c4c1cccc4)c(cc(c3O2)O)O.O.O
• Title of publication: Synthesis, crystal structure, DNA interaction and in vitro anticancer activity of a novel Cu(II) complex of purpurin: Dual poison for human DNA topoisomerase I and II
• Authors of publication: Das, Saurabh; Das, Piyal; Jain, Chetan Kumar; Dey, Sanjoy Kumar; Saha, Rajat; Chowdhury, Abhishek Dutta; Choudhury, Susanta Roy; Kumar, Sanjay; Majumder, Hemanta Kumar
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 12.528 ± 0.008 Å
• b: 12.424 ± 0.005 Å
• c: 10.381 ± 0.01 Å
• α: 97.25 ± 0.06°
• β: 113.87 ± 0.07°
• γ: 62.167 ± 0.025°
• Cell volume: 1302.7 ± 1.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• RFsqd: 0.158539
• Goodness-of-fit parameter for all reflections: 8.47
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No