Information card for entry 4506381

Structure parameters

• Chemical name: tetraflouro-1,2-phenylenediboronic acid
• Formula: C6 H4 B2 F4 O4
• Calculated formula: C6 H4 B2 F4 O4
• Title of publication: Structural and Energetic Landscape of Fluorinated 1,4-Phenylenediboronic Acids
• Authors of publication: Durka, Krzysztof; Jarzembska, Katarzyna N.; Kamiński, Radosław; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 3720
• a: 8.4258 ± 0.0012 Å
• b: 5.0244 ± 0.0006 Å
• c: 10.1656 ± 0.0014 Å
• α: 90°
• β: 106.254 ± 0.007°
• γ: 90°
• Cell volume: 413.16 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0758
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1608
• Weighted residual factors for all reflections included in the refinement: 0.1725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No