Information card for entry 2237529

Structure parameters

• Chemical name: 2-{(<i>E</i>)-4-[4-(Trifluoromethyl)phenoxy]but-2-enyloxy}phenyl <i>N</i>-methylcarbamate
• Formula: C19 H18 F3 N O4
• Calculated formula: C19 H18 F3 N O4
• SMILES: CNC(=O)Oc1ccccc1OC/C=C/COc1ccc(cc1)C(F)(F)F
• Title of publication: 2-{(<i>E</i>)-4-[4-(Trifluoromethyl)phenoxy]but-2-enyloxy}phenyl <i>N</i>-methylcarbamate
• Authors of publication: Ma, Hong-Ju; Xu, Meng-Han; Zhang, Jian-Hua; Li, Jian-Hong; Ning, Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o326 - o327
• a: 12.413 ± 0.003 Å
• b: 9.3936 ± 0.0019 Å
• c: 16.202 ± 0.003 Å
• α: 90°
• β: 111.65 ± 0.03°
• γ: 90°
• Cell volume: 1755.9 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes