Information card for entry 7035152

Structure parameters

• Formula: C41 H38 N5 O20 Y
• Calculated formula: C41 H38 N5 O20 Y
• SMILES: [Y]12345([n]6ccc7cc(OC)c(OC)c8c7c6c(O1)c1c8cc(OC)c(OC)c1)([n]1ccc6cc(OC)c(OC)c7c6c1c(O2)c1c7cc(OC)c(OC)c1)(ON(=[O]3)=O)(ON(=[O]4)=O)ON(=[O]5)=O.OC
• 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: 12.021 ± 0.0011 Å
• b: 14.1771 ± 0.0015 Å
• c: 24.2 ± 0.002 Å
• α: 90°
• β: 93.808 ± 0.001°
• γ: 90°
• Cell volume: 4115.1 ± 0.7 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: 0.268
• Residual factor for significantly intense reflections: 0.0942
• Weighted residual factors for significantly intense reflections: 0.2104
• Weighted residual factors for all reflections included in the refinement: 0.2434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No