Information card for entry 1569810

Structure parameters

• Formula: C22 H17 Cl2 F6 N3 O3
• Calculated formula: C22 H17 Cl2 F6 N3 O3
• Title of publication: Crystal Structure Analysis, Stability, Phase Transformation and Selective Nucleation Mechanism of Fluralaner Polymorphs
• Authors of publication: Li, Guangyan; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Tian, Beiqian; Feng, Ziwei; Liu, Ailing; Li, Yaling; Hao, Hongxun
• Journal of publication: Crystals
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 8
• Pages of publication: 1241
• a: 9.5129 ± 0.0003 Å
• b: 15.13 ± 0.0003 Å
• c: 17.615 ± 0.0005 Å
• α: 72.469 ± 0.002°
• β: 83.305 ± 0.002°
• γ: 89.077 ± 0.002°
• Cell volume: 2400.6 ± 0.12 ų
• Cell temperature: 295 ± 9 K
• Ambient diffraction temperature: 295 ± 9 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1221
• Residual factor for significantly intense reflections: 0.0946
• Weighted residual factors for significantly intense reflections: 0.2623
• Weighted residual factors for all reflections included in the refinement: 0.3136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No