Information card for entry 2230175

Structure parameters

• Chemical name: (<i>S</i>)-cyano(3-phenoxyphenyl)methyl (<i>Z</i>)-(1<i>R</i>,3<i>S</i>)-2,2-dimethyl-3-{2-[2,2,2-trifluoro-1- (trifluoromethyl)ethoxycarbonyl]vinyl}cyclopropane-1-carboxylate
• Formula: C26 H21 F6 N O5
• Calculated formula: C26 H21 F6 N O5
• SMILES: FC(F)(F)C(OC(=O)/C=C\[C@@H]1C([C@@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1)(C)C)C(F)(F)F
• Title of publication: Acrinathrin: (<i>S</i>)-cyano(3-phenoxyphenyl)methyl (<i>Z</i>)-(1<i>R</i>,3<i>S</i>)-2,2-dimethyl-3-{2-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxycarbonyl]vinyl}cyclopropane-1-carboxylate
• Authors of publication: Yang, Hojin; Kim, Tae Ho; Park, Ki-Min; Kim, Jineun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1275
• a: 7.4932 ± 0.0002 Å
• b: 9.2679 ± 0.0002 Å
• c: 36.9165 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2563.71 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes