Information card for entry 7233915

Structure parameters

• Formula: C20 H18 Cl2 N2 O2 S
• Calculated formula: C20 H18 Cl2 N2 O2 S
• Title of publication: Versatile solid forms of boscalid: insight into the crystal structures and phase transformations
• Authors of publication: Li, Zhonghua; Jia, Lina; Shi, Peng; Jiang, Shuang; Gong, Junbo; Wu, Songgu
• Journal of publication: CrystEngComm
• Year of publication: 2019
• a: 37.821 ± 0.009 Å
• b: 5.6762 ± 0.0013 Å
• c: 18.699 ± 0.005 Å
• α: 90°
• β: 104.084 ± 0.005°
• γ: 90°
• Cell volume: 3893.6 ± 1.7 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133.15 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No