Information card for entry 7220030

Structure parameters

• Formula: C33 H34 Cl N O8
• Calculated formula: C33 H34 Cl 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: 10.9438 ± 0.0004 Å
• b: 14.3642 ± 0.0005 Å
• c: 19.1003 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3002.55 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1013
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No