Information card for entry 7240434

Structure parameters

• Formula: C25 H22 N3 O7
• Calculated formula: C25 H22 N3 O7
• Title of publication: Design, screening, and properties of novel solvates of azoxystrobin based on isomorphism
• Authors of publication: Shi, Zhi-Ping; Ren, Guo-Bin; Qi, Ming-Hui; Li, Zhong; Xu, Xiaoyong
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 12.5159 ± 0.0006 Å
• b: 7.7861 ± 0.0005 Å
• c: 24.3482 ± 0.001 Å
• α: 90°
• β: 96.499 ± 0.004°
• γ: 90°
• Cell volume: 2357.5 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.0921
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.183
• Weighted residual factors for all reflections included in the refinement: 0.2066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No