Information card for entry 7224372

Structure parameters

• Formula: C15 H18 Cl N5 O4 S
• Calculated formula: C15 H18 Cl N5 O4 S
• SMILES: S(=O)(=O)(NC(=O)Nc1nc(OC)nc(n1)C)c1c(Cl)ccc(c1)C(C)C
• Title of publication: Research on Controllable Degradation of Sulfonylurea Herbicides
• Authors of publication: Hua, Xue-Wen; Chen, Ming-Gui; Zhou, Shaa; Zhang, Dong-Kai; Liu, Ming; Zhou, Sha; Liu, Jing-Bo; Lei, Kang; Song, Hai-Bin; Li, Yong-Hong; Gu, Yucheng; Li, Zhengming
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.4336 ± 0.0019 Å
• b: 11.524 ± 0.002 Å
• c: 16.608 ± 0.003 Å
• α: 90°
• β: 100.88 ± 0.03°
• γ: 90°
• Cell volume: 1773 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No