Information card for entry 7220031

Structure parameters

• Formula: C34 H37 N O8
• Calculated formula: C34 H37 N O8
• Title of publication: Synthesis and quantitative structure-activity relationship (QSAR) study of C7-oxime ester derivatives of obacunone as insecticidal agents
• Authors of publication: Yu, Xiang; Shi, Danfeng; Zhi, Xiaoyan; Li, Qin; Yao, Xiaojun; xu, hui
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 10.7476 ± 0.0009 Å
• b: 14.2825 ± 0.0012 Å
• c: 19.7165 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3026.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1148
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No