Information card for entry 2230815

Structure parameters

• Common name: N,N'-di-trifluoroacetyl-4,4'-bipiperidine
• Chemical name: 1,1'-(4,4'-Bipiperidine-1,1'-diyl)bis(2,2,2-trifluoroethanone)
• Formula: C14 H18 F6 N2 O2
• Calculated formula: C14 H18 F6 N2 O2
• SMILES: O=C(C(F)(F)F)N1CCC(CC1)C1CCN(CC1)C(=O)C(F)(F)F
• Title of publication: 1,1'-(4,4'-Bipiperidine-1,1'-diyl)bis(2,2,2-trifluoroethanone)
• Authors of publication: Yadav, Vitthal N.; Hansen, Tore; Görbitz, Carl Henrik
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1691
• a: 6.6825 ± 0.0012 Å
• b: 6.735 ± 0.0012 Å
• c: 9.3089 ± 0.0016 Å
• α: 99.952 ± 0.002°
• β: 108.564 ± 0.002°
• γ: 101.542 ± 0.002°
• Cell volume: 376.3 ± 0.12 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 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: 0.0311
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes