Information card for entry 4082908

Structure parameters

• Chemical name: tetrafluorophenylene-1,2-diboronic acid
• Formula: C6 H10 B2 F4 O7
• Calculated formula: C6 H10 B2 F4 O7
• Title of publication: Influence of Fluorination and Boronic Group Synergy on the Acidity and Structural Behavior ofo-Phenylenediboronic Acids
• Authors of publication: Durka, Krzysztof; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 7
• Pages of publication: 1608
• a: 4.4056 ± 0.0002 Å
• b: 10.5551 ± 0.0004 Å
• c: 14.0461 ± 0.0007 Å
• α: 108.89 ± 0.004°
• β: 93.462 ± 0.004°
• γ: 99.729 ± 0.004°
• Cell volume: 604.44 ± 0.05 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No