Information card for entry 2216360

Structure parameters

• Chemical name: 2-[3-(Trifluoromethyl)phenyl]furo[2,3-<i>c</i>]pyridine
• Formula: C14 H8 F3 N O
• Calculated formula: C14 H8 F3 N O
• SMILES: c1cncc2cc(c3cc(ccc3)C(F)(F)F)oc12
• Title of publication: 2-[3-(Trifluoromethyl)phenyl]furo[2,3-<i>c</i>]pyridine
• Authors of publication: Vrábel, Viktor; Švorc, Ľubomír; Bradiaková, Ivana; Kožíšek, Jozef; Krutošíková, Alžbeta
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4516 - o4516
• a: 13.4075 ± 0.0016 Å
• b: 12.1237 ± 0.0009 Å
• c: 7.3008 ± 0.001 Å
• α: 90°
• β: 104.754 ± 0.013°
• γ: 90°
• Cell volume: 1147.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1268
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes