Information card for entry 1502655

Structure parameters

• Formula: C14.5 H16 Cl2 N4 O3
• Calculated formula: C14.5 H16 Cl2 N4 O3
• Title of publication: Divalent and oxabridged neonicotinoids constructed by dialdehydes and nitromethylene analogues of imidacloprid: design, synthesis, crystal structure, and insecticidal activities.
• Authors of publication: Shao, Xusheng; Fu, Hua; Xu, Xiaoyong; Xu, Xinglei; Liu, Zewen; Li, Zhong; Qian, Xuhong
• Journal of publication: Journal of agricultural and food chemistry
• Year of publication: 2010
• Journal volume: 58
• Journal issue: 5
• Pages of publication: 2696 - 2702
• a: 22.13 ± 0.004 Å
• b: 9.2835 ± 0.0018 Å
• c: 15.475 ± 0.003 Å
• α: 90°
• β: 92.678 ± 0.004°
• γ: 90°
• Cell volume: 3175.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1271
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.167
• Weighted residual factors for all reflections included in the refinement: 0.199
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No