Information card for entry 7240432

Structure parameters

• Formula: C23 H18 Cl3 N3 O5
• Calculated formula: C23 H18 Cl3 N3 O5
• 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: 30.1704 ± 0.0017 Å
• b: 7.7664 ± 0.0004 Å
• c: 24.4219 ± 0.0014 Å
• α: 90°
• β: 123.587 ± 0.003°
• γ: 90°
• Cell volume: 4767 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1379
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.1841
• Weighted residual factors for all reflections included in the refinement: 0.2213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No