Information card for entry 7059677

Structure parameters

• Formula: C20 H19 Cl N4 S
• Calculated formula: C20 H19 Cl N4 S
• SMILES: s1c(nc2c1cccc2)c1c(NCCN(C)C)c2c(nc1)cc(Cl)cc2
• Title of publication: 3-(Benzo[d]thiazol-2-yl)-4-aminoquinoline derivatives as novel scaffold topoisomerase I inhibitor via DNA intercalation: design, synthesis, and antitumor activities
• Authors of publication: Yuan, Jing-Mei; Chen, Nan-Ying; Liao, Hao-Ran; Zhang, Guo-Hai; Li, Xiao-Juan; Gu, Zi-Yu; Pan, Cheng-Xue; Mo, Dong-Liang; Su, Gui-Fa
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 26
• Pages of publication: 11203 - 11214
• a: 13.793 ± 0.005 Å
• b: 8.597 ± 0.003 Å
• c: 16.14 ± 0.005 Å
• α: 90°
• β: 104.275 ± 0.005°
• γ: 90°
• Cell volume: 1854.8 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1253
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.2577
• Weighted residual factors for all reflections included in the refinement: 0.2914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No