Information card for entry 1559885

Structure parameters

• Formula: C H Cd Cl N O Zn0.02
• Calculated formula: C86 H80 Cl8 N42 O20 Zn2
• Title of publication: Detecting Pesticide Dodine by Displacement of Fluorescent Acridine from Cucurbit[10]uril Macrocycle
• Authors of publication: Xu, Wei-Tao; Luo, Yang; Zhao, Wei-Wei; Liu, Ming; Luo, Guang-Yan; Fan, Ying; Lin, Rui-Lian; Tao, Zhu; Xiao, Xin; Liu, Jing-Xin
• Journal of publication: Journal of Agricultural and Food Chemistry
• Year of publication: 2020
• a: 26.767 ± 0.004 Å
• b: 15.402 ± 0.003 Å
• c: 20.763 ± 0.006 Å
• α: 90°
• β: 124.29 ± 0.004°
• γ: 90°
• Cell volume: 7072 ± 3 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1003
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.2768
• Weighted residual factors for all reflections included in the refinement: 0.3001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No