Information card for entry 2240219

Structure parameters

• Common name: Fenpropathrin
• Chemical name: Cyano(3-phenoxyphenyl)methyl 2,2,3,3-tetramethylcyclopropanecarboxylate
• Formula: C22 H23 N O3
• Calculated formula: C22 H23 N O3
• SMILES: O=C(OC(C#N)c1cccc(Oc2ccccc2)c1)C1C(C)(C)C1(C)C
• Title of publication: Crystal structure of fenpropathrin
• Authors of publication: Kang, Gihaeng; Jeon, Youngeun; Lee, Sangjin; Kim, Tae Ho
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• Pages of publication: o1265
• a: 16.2578 ± 0.0004 Å
• b: 6.4799 ± 0.0001 Å
• c: 19.2475 ± 0.0004 Å
• α: 90°
• β: 112.453 ± 0.001°
• γ: 90°
• Cell volume: 1873.99 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0463
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes