Information card for entry 2220988

Structure parameters

• Chemical name: 1,4-Bis(fluoromethyl)benzene
• Formula: C8 H8 F2
• Calculated formula: C8 H8 F2
• SMILES: FCc1ccc(cc1)CF
• Title of publication: 1,4-Bis(fluoromethyl)benzene
• Authors of publication: Fun, Hoong-Kun; Kia, Reza; Patil, P. S.; Dharmaprakash, S. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o459
• a: 6.1886 ± 0.0002 Å
• b: 5.0152 ± 0.0002 Å
• c: 10.475 ± 0.0004 Å
• α: 90°
• β: 95.107 ± 0.002°
• γ: 90°
• Cell volume: 323.82 ± 0.02 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.2435
• Weighted residual factors for all reflections included in the refinement: 0.2511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes