Information card for entry 7245549

Structure parameters

• Chemical name: Metamitron-Baicalein
• Formula: C25 H20 N4 O6
• Calculated formula: C25 H20 N4 O6
• Title of publication: Cocrystal engineering strategy for sustained release and leaching reduction of herbicides: a case study of metamitron
• Authors of publication: Xiao, Yuntian; Wu, Chuanhua; Zhou, Ling; Yin, Qiuxiang; Yang, Jingxiang
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 20
• Pages of publication: 8088 - 8099
• a: 5.2165 ± 0.0002 Å
• b: 13.1426 ± 0.0004 Å
• c: 31.0132 ± 0.001 Å
• α: 90°
• β: 89.95 ± 0.003°
• γ: 90°
• Cell volume: 2126.21 ± 0.12 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 4
• 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: 0.0789
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No