Information card for entry 2226923

Structure parameters

• Common name: C~15~H~7~Cl~2~F~6~N~O~2
• Chemical name: <i>N</i>-[3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,6- difluorobenzamide
• Formula: C15 H7 Cl2 F6 N O2
• Calculated formula: C15 H7 Cl2 F6 N O2
• SMILES: FC(C(Oc1c(Cl)cc(cc1Cl)NC(=O)c1c(F)cccc1F)(F)F)F
• Title of publication: <i>N</i>-[3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,6-difluorobenzamide
• Authors of publication: Liang, Ying; Wei, San; Yang, Zi-Wen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2156
• a: 9.426 ± 0.002 Å
• b: 15.568 ± 0.004 Å
• c: 22.601 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3316.6 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1084
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.2311
• Weighted residual factors for all reflections included in the refinement: 0.2534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes