Information card for entry 4127950

Structure parameters

• Formula: C14 H9 Cl4 F
• Calculated formula: C14 H9 Cl4 F
• SMILES: ClC(Cl)([C@@H](c1ccc(Cl)cc1)c1ccc(F)cc1)Cl
• 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: 9.923 ± 0.0006 Å
• b: 7.808 ± 0.0005 Å
• c: 18.1832 ± 0.0011 Å
• α: 90°
• β: 94.507 ± 0.001°
• γ: 90°
• Cell volume: 1404.46 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No