Information card for entry 2207718

Structure parameters

• Chemical name: 2,2',5,5'-Tetrakis(trifluoromethyl)biphenyl
• Formula: C16 H6 F12
• Calculated formula: C16 H6 F12
• SMILES: FC(c1ccc(cc1c1cc(ccc1C(F)(F)F)C(F)(F)F)C(F)(F)F)(F)F
• Title of publication: 2,2',5,5'-Tetrakis(trifluoromethyl)biphenyl
• Authors of publication: Dillon, Keith B.; Zorina, Natalia V.; Yufit, Dmitry S.; Howard, Judith A. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o104 - o106
• a: 7.4296 ± 0.0002 Å
• b: 14.3048 ± 0.0004 Å
• c: 15.1315 ± 0.0004 Å
• α: 79.73 ± 0.01°
• β: 77.21 ± 0.01°
• γ: 76.39 ± 0.01°
• Cell volume: 1510.65 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.1613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes