Information card for entry 2228658

Structure parameters

• Chemical name: 3-[(<i>E</i>)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-<i>N</i>-(2- fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
• Formula: C15 H14 Cl F4 N O
• Calculated formula: C15 H14 Cl F4 N O
• SMILES: ClC(=C\[C@H]1[C@H](C1(C)C)C(=O)Nc1ccccc1F)/C(F)(F)F.ClC(=C\[C@@H]1[C@@H](C1(C)C)C(=O)Nc1ccccc1F)/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-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
• Authors of publication: Yan, Fan-Yong; Liu, Dong-Qing; Wen, Jing-Yun; Gao, Yun-Ying; Li, Ai-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o60
• a: 9.4604 ± 0.0019 Å
• b: 17.785 ± 0.004 Å
• c: 18.879 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3176.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0612
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes