Information card for entry 7233914

Structure parameters

• Formula: C20 H16 Cl2 N2 O2
• Calculated formula: C20 H16 Cl2 N2 O2
• 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: 12.284 ± 0.003 Å
• b: 20.468 ± 0.004 Å
• c: 7.4983 ± 0.0015 Å
• α: 90°
• β: 96.21 ± 0.03°
• γ: 90°
• Cell volume: 1874.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1253
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No