Information card for entry 2215568

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(2,3,4,5-tetrafluorobenzoyl)piperazine
• Formula: C18 H10 F8 N2 O2
• Calculated formula: C18 H10 F8 N2 O2
• SMILES: O=C(c1cc(F)c(c(c1F)F)F)N1CCN(CC1)C(=O)c1cc(F)c(c(c1F)F)F
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2,3,4,5-tetrafluorobenzoyl)piperazine
• Authors of publication: Zhang, Xiao-Mei; Lu, Ji-Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4178 - o4178
• a: 30.158 ± 0.004 Å
• b: 8.9113 ± 0.0012 Å
• c: 6.5744 ± 0.0009 Å
• α: 90°
• β: 96.594 ± 0.002°
• γ: 90°
• Cell volume: 1755.2 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0477
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes