Information card for entry 2218584

Structure parameters

• Chemical name: (<i>Z</i>)-2-(2-Chloro-3,3,3-trifluoroprop-1-enyl)-6-methoxyphenyl acetate
• Formula: C12 H10 Cl F3 O3
• Calculated formula: C12 H10 Cl F3 O3
• SMILES: Cl\C(=C/c1cccc(OC)c1OC(=O)C)C(F)(F)F
• Title of publication: (<i>Z</i>)-2-(2-Chloro-3,3,3-trifluoroprop-1-enyl)-6-methoxyphenyl acetate
• Authors of publication: Zhou, Hua; Li, Zhi-Gang; Xu, Jing-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1166
• a: 8.6168 ± 0.0019 Å
• b: 8.685 ± 0.0019 Å
• c: 9.723 ± 0.002 Å
• α: 77.323 ± 0.003°
• β: 70.869 ± 0.003°
• γ: 84.01 ± 0.003°
• Cell volume: 670.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes