Information card for entry 2228659

Structure parameters

• Chemical name: 3-[(<i>E</i>)-2-Chloro-3,3,3-trifluoroprop-1-en-1-yl]-<i>N</i>-(2- chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
• Formula: C15 H14 Cl2 F3 N O
• Calculated formula: C15 H14 Cl2 F3 N O
• SMILES: Cl/C(=C\[C@@H]1[C@@H](C1(C)C)C(=O)Nc1ccccc1Cl)C(F)(F)F.Cl/C(=C\[C@H]1[C@H](C1(C)C)C(=O)Nc1ccccc1Cl)C(F)(F)F
• Title of publication: 3-[(<i>E</i>)-2-Chloro-3,3,3-trifluoroprop-1-en-1-yl]-<i>N</i>-(2-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
• Authors of publication: Liu, Dong-Qing; Yan, Fan-Yong; Gao, Yun-Ying; Guo, Lei; Kong, Zi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o61
• a: 18.454 ± 0.004 Å
• b: 9.335 ± 0.0019 Å
• c: 18.981 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3269.8 ± 1.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes