Information card for entry 2009889

Structure parameters

• Formula: C6 H4 F2 O
• Calculated formula: C6 H4 F2 O
• SMILES: Oc1cc(F)cc(c1)F
• Title of publication: 3,5-Difluorophenol
• Authors of publication: Shibakami, M.; Sekiya, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 7
• Pages of publication: 1152 - 1154
• a: 5.717 ± 0.001 Å
• b: 20.077 ± 0.005 Å
• c: 4.806 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 551.6 ± 0.2 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.055
• Goodness-of-fit parameter for significantly intense reflections: 1.44
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No