Information card for entry 7035153

Structure parameters

• Formula: C40 H36 Dy N5 O20
• Calculated formula: C40 H36 Dy N5 O20
• SMILES: [Dy]12345(Oc6c7cc(OC)c(OC)cc7c7c(OC)c(OC)cc8cc[n]4c6c78)(Oc4c6cc(OC)c(OC)cc6c6c(OC)c(OC)cc7cc[n]5c4c67)(ON(=[O]1)=O)(ON(=[O]2)=O)ON(=[O]3)=O.O
• Title of publication: Water-soluble oxoglaucine-Y(iii), Dy(iii) complexes: in vitro and in vivo anticancer activities by triggering DNA damage, leading to S phase arrest and apoptosis.
• Authors of publication: Wei, Jian-Hua; Chen, Zhen-Feng; Qin, Jiao-Lan; Liu, Yan-Cheng; Li, Zhu-Quan; Khan, Taj-Malook; Wang, Meng; Jiang, Yan-Hua; Shen, Wen-Ying; Liang, Hong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 25
• Pages of publication: 11408 - 11419
• a: 11.9998 ± 0.0002 Å
• b: 14.1759 ± 0.0003 Å
• c: 24.266 ± 0.0004 Å
• α: 90°
• β: 93.8208 ± 0.0016°
• γ: 90°
• Cell volume: 4118.67 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0684
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No