Information card for entry 4127953

Structure parameters

• Formula: C14 H9 Cl4 F
• Calculated formula: C14 H9 Cl4 F
• Title of publication: Manipulating Solid Forms of Contact Insecticides for Infectious Disease Prevention.
• Authors of publication: Zhu, Xiaolong; Hu, Chunhua T.; Yang, Jingxiang; Joyce, Leo A.; Qiu, Mengdi; Ward, Michael D.; Kahr, Bart
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 42
• Pages of publication: 16858 - 16864
• a: 7.862 ± 0.003 Å
• b: 34.467 ± 0.013 Å
• c: 21.043 ± 0.008 Å
• α: 90°
• β: 99.217 ± 0.003°
• γ: 90°
• Cell volume: 5629 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.1145
• Residual factor for significantly intense reflections: 0.0889
• Weighted residual factors for significantly intense reflections: 0.2415
• Weighted residual factors for all reflections included in the refinement: 0.2569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.27
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No