Information card for entry 2230923

Structure parameters

• Common name: 4,5,6,7-Tetrachloro-<i>N</i>-(2,3,4-trifluorophenyl)phthalimide
• Chemical name: 4,5,6,7-Tetrachloro-2-(2,3,4-trifluorophenyl)isoindoline-1,3-dione
• Formula: C14 H2 Cl4 F3 N O2
• Calculated formula: C14 H2 Cl4 F3 N O2
• SMILES: O=C1N(c2ccc(c(c2F)F)F)C(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl
• Title of publication: 4,5,6,7-Tetrachloro-<i>N</i>-(2,3,4-trifluorophenyl)phthalimide
• Authors of publication: Zhang, Yin-Jun; Luo, Chen-Tao; Wang, Yu-Guang; Wang, Zhao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1604
• a: 6.7722 ± 0.0007 Å
• b: 8.8052 ± 0.0012 Å
• c: 24.493 ± 0.003 Å
• α: 95.777 ± 0.009°
• β: 94.514 ± 0.017°
• γ: 98.839 ± 0.012°
• Cell volume: 1429.3 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes