Information card for entry 2217300

Structure parameters

• Chemical name: (E)-3-(2-Chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethyl-N,N- diphenylcyclopropanecarboxamide
• Formula: C21 H19 Cl F3 N O
• Calculated formula: C21 H19 Cl F3 N O
• SMILES: O=C(N(c1ccccc1)c1ccccc1)[C@H]1[C@H](C1(C)C)/C=C(/C(F)(F)F)Cl.O=C(N(c1ccccc1)c1ccccc1)[C@@H]1[C@@H](C1(C)C)/C=C(/C(F)(F)F)Cl
• Title of publication: (<i>E</i>)-3-(2-Chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethyl-<i>N</i>,<i>N</i>-diphenylcyclopropanecarboxamide
• 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: o18 - o18
• a: 9.247 ± 0.006 Å
• b: 21.443 ± 0.014 Å
• c: 10.025 ± 0.007 Å
• α: 90°
• β: 99.068 ± 0.011°
• γ: 90°
• Cell volume: 1963 ± 2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0867
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes