Information card for entry 2236620

Structure parameters

• Chemical name: (5-Benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate
• Formula: C22 H26 O3
• Calculated formula: C22 H26 O3
• SMILES: o1c(Cc2ccccc2)cc(c1)COC(=O)[C@H]1C([C@@H]1C=C(C)C)(C)C
• Title of publication: Bioresmethrin: (5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate
• Authors of publication: Kim, Tae Ho; Park, Ki-Min; Jeon, Youngeun; Kim, Jineun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3060
• a: 7.8438 ± 0.0014 Å
• b: 11.555 ± 0.002 Å
• c: 10.9649 ± 0.0018 Å
• α: 90°
• β: 108.375 ± 0.003°
• γ: 90°
• Cell volume: 943.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes