Information card for entry 2217273

Structure parameters

• Chemical name: (E)-3-(2-Chloro-3,3,3-trifluoroprop-1-enyl)-N-(3-methoxyphenyl)-2,2- dimethylcyclopropanecarboxamide
• Formula: C16 H17 Cl F3 N O2
• Calculated formula: C16 H17 Cl F3 N O2
• SMILES: ClC(=C\[C@H]1[C@H](C1(C)C)C(=O)Nc1cccc(OC)c1)/C(F)(F)F.ClC(=C\[C@@H]1[C@@H](C1(C)C)C(=O)Nc1cccc(OC)c1)/C(F)(F)F
• Title of publication: (<i>E</i>)-3-(2-Chloro-3,3,3-trifluoroprop-1-enyl)-<i>N</i>-(3-methoxyphenyl)-2,2-dimethylcyclopropanecarboxamide
• Authors of publication: Yan, Fan-Yong; Liu, Dong-Qing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o116 - o116
• a: 16.785 ± 0.002 Å
• b: 22.246 ± 0.003 Å
• c: 9.4791 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3539.5 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1731
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.1637
• Weighted residual factors for all reflections included in the refinement: 0.2355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes