Information card for entry 7217020

Structure parameters

• Formula: C18 H19 N O3
• Calculated formula: C18 H19 N O3
• SMILES: O(c1ccc(C(=N\O)/C=C/c2c(OC)cccc2)cc1)CC
• 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: 5.8593 ± 0.0008 Å
• b: 9.5104 ± 0.0012 Å
• c: 14.924 ± 0.002 Å
• α: 71.852 ± 0.004°
• β: 81.981 ± 0.004°
• γ: 89.066 ± 0.004°
• Cell volume: 782.21 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1838
• Residual factor for significantly intense reflections: 0.1588
• Weighted residual factors for significantly intense reflections: 0.4646
• Weighted residual factors for all reflections included in the refinement: 0.4894
• Goodness-of-fit parameter for all reflections included in the refinement: 2.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No