Information card for entry 7217018

Structure parameters

• Formula: C18 H17 Cl2 N O4
• Calculated formula: C18 H17 Cl2 N O4
• SMILES: Clc1c(Cl)cc(C(=N\O)/C=C/c2cc(OC)c(OC)cc2OC)cc1
• Title of publication: Synthesis, Biological Evaluation, and Molecular Docking Studies of Novel Chalcone Oxime Derivatives as Potential Tubulin Polymerization Inhibitors
• Authors of publication: Zhu, Hai-Liang; Qi, Jin-Liang; Jiang, Aiqin; Wang, YanTing; Qin, Yajuan; Zhang, YaLiang; Li, YuJing; Rao, Bing; Zhang, YanQing; Yang, MengRu
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 5.7733 ± 0.0009 Å
• b: 12.2808 ± 0.0019 Å
• c: 12.979 ± 0.002 Å
• α: 90.46 ± 0.004°
• β: 94.633 ± 0.004°
• γ: 102.396 ± 0.004°
• Cell volume: 895.5 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1765
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No