Information card for entry 8107379

Structure parameters

• Chemical name: methyl 2-((4-chloro-2-fluoro-6-((2,2,2-trifluoroethyl)thio)phe-noxy)methyl) benzoate
• Formula: C17 H13 Cl F4 O3 S
• Calculated formula: C17 H13 Cl F4 O3 S
• Title of publication: The crystal structure of methyl 2-((4-chloro-2-fluoro-6-((2,2,2-trifluoroethyl) thio)phenoxy)methyl)benzoate, C17H13ClF4O3S
• Authors of publication: Liu, Dongdong; Zhang, Lixin; Zhang, Jing
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 2
• Pages of publication: 153 - 155
• a: 17.0097 ± 0.001 Å
• b: 4.4625 ± 0.0003 Å
• c: 22.952 ± 0.0019 Å
• α: 90°
• β: 102.933 ± 0.007°
• γ: 90°
• Cell volume: 1698 ± 0.2 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0495
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No