Information card for entry 2229044

Structure parameters

• Chemical name: 5,5'-Bis[(2,2,2-trifluoroethoxy)methyl]-2,2'-bipyridine
• Formula: C16 H14 F6 N2 O2
• Calculated formula: C16 H14 F6 N2 O2
• SMILES: FC(COCc1ccc(nc1)c1ccc(cn1)COCC(F)(F)F)(F)F
• Title of publication: 5,5'-Bis[(2,2,2-trifluoroethoxy)methyl]-2,2'-bipyridine
• Authors of publication: Lu, Norman; Tu, Wen-Han; Chang, Wei-Hsuan; Wu, Zong-Wei; Su, Han-Chang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o355 - o356
• a: 4.6573 ± 0.0002 Å
• b: 5.6842 ± 0.0003 Å
• c: 15.7273 ± 0.0008 Å
• α: 94.298 ± 0.003°
• β: 98.473 ± 0.003°
• γ: 105.689 ± 0.004°
• Cell volume: 393.57 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0382
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes