Information card for entry 7240433

Structure parameters

• Formula: C26 H21 N3 O6
• Calculated formula: C26 H21 N3 O6
• 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: 12.3314 ± 0.0006 Å
• b: 7.873 ± 0.0004 Å
• c: 24.6987 ± 0.0011 Å
• α: 90°
• β: 99.463 ± 0.002°
• γ: 90°
• Cell volume: 2365.2 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0719
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No