Information card for entry 2203857

Structure parameters

• Chemical name: (E)-2-[2-(4-trifluoromethylphenyl)ethenyl]-1,3,2-benzodioxaborole
• Formula: C15 H10 B F3 O2
• Calculated formula: C15 H10 B F3 O2
• SMILES: FC(c1ccc(cc1)/C=C/B1Oc2c(O1)cccc2)(F)F
• Title of publication: (<i>E</i>)-2-{2-[4-(Trifluoromethyl)phenyl]ethenyl}-1,3,2-benzodioxaborole
• Authors of publication: Clegg, William; Scott, Andrew J.; Wiesauer, Christian; Weissensteiner, Walter; Marder, Todd B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: o1175 - o1177
• a: 6.757 ± 0.004 Å
• b: 7.768 ± 0.004 Å
• c: 12.578 ± 0.007 Å
• α: 93.581 ± 0.012°
• β: 98.6 ± 0.016°
• γ: 91.084 ± 0.015°
• Cell volume: 651.2 ± 0.6 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 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: 0.1177
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.2562
• Weighted residual factors for all reflections included in the refinement: 0.2792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes