Information card for entry 4127948

Structure parameters

• Formula: C14 H9 Cl3 F2
• Calculated formula: C14 H9 Cl3 F2
• SMILES: ClC(Cl)(Cl)C(c1ccc(F)cc1)c1ccc(F)cc1
• 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: 7.8711 ± 0.0013 Å
• b: 34.698 ± 0.006 Å
• c: 20.06 ± 0.003 Å
• α: 90°
• β: 99.45 ± 0.003°
• γ: 90°
• Cell volume: 5404.3 ± 1.5 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: 0.0745
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No