Information card for entry 2003620

Structure parameters

• Formula: C12 H8 F2
• Calculated formula: C12 H8 F2
• SMILES: Fc1ccccc1c1ccccc1F
• Title of publication: Disordered Fluorine in 2-Fluorobiphenyl
• Authors of publication: Rajnikant; Watkin, D.; Tranter, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1452 - 1454
• a: 5.894 ± 0.003 Å
• b: 12.954 ± 0.001 Å
• c: 23.602 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1802 ± 0.9 ų
• Cell temperature: 293 K
• Number of distinct elements: 3
• Space group number: 43
• Hermann-Mauguin space group symbol: F 2 d d
• Hall space group symbol: F -2d 2
• Residual factor for significantly intense reflections: 0.04534
• Weighted residual factors for significantly intense reflections: 0.06006
• Goodness-of-fit parameter for significantly intense reflections: 0.85
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No