Information card for entry 2208922

Structure parameters

• Chemical name: 3-[(<i>E</i>)-2-Chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethyl- N-(3-pyridyl)cyclopropanecarboxamide acetone hemisolvate
• Formula: C15.5 H17 Cl F3 N2 O1.5
• Calculated formula: C15.5 H17 Cl F3 N2 O1.5
• Title of publication: 3-[(<i>E</i>)-2-Chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethyl-<i>N</i>-(3-pyridyl)cyclopropanecarboxamide acetone hemisolvate
• Authors of publication: Liu, Dong-Qing; Feng, Ya-Qing; Liu, Da-Wei; Zhang, Sha-Sha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1747 - o1748
• a: 24.274 ± 0.005 Å
• b: 12.33 ± 0.002 Å
• c: 11.4763 ± 0.0018 Å
• α: 90°
• β: 90.761 ± 0.006°
• γ: 90°
• Cell volume: 3434.5 ± 1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1297
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.2101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No