Information card for entry 7035141

Structure parameters

• Formula: C12 H13 Cu0.5 O5
• Calculated formula: C12 H13 Cu0.5 O5
• Title of publication: Mechanistic insights into a novel chromone-appended Cu(ii) anticancer drug entity: in vitro binding profile with DNA/RNA substrates and cytotoxic activity against MCF-7 and HepG2 cancer cells.
• Authors of publication: Yousuf, Imtiyaz; Arjmand, Farukh; Tabassum, Sartaj; Toupet, Loic; Khan, Rais Ahmad; Siddiqui, Maqsood Ahmad
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 22
• Pages of publication: 10330 - 10342
• a: 8.7505 ± 0.0002 Å
• b: 5.0769 ± 0.0002 Å
• c: 26.2226 ± 0.0008 Å
• α: 90°
• β: 96.304 ± 0.003°
• γ: 90°
• Cell volume: 1157.91 ± 0.06 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• 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: 0.0326
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No