Information card for entry 2203856

Structure parameters

• Chemical name: (E)-2-[2-(4-methylphenyl)ethenyl]-1,3,2-benzodioxaborole
• Formula: C15 H13 B O2
• Calculated formula: C15 H13 B O2
• SMILES: C(=C/c1ccc(cc1)C)\B1Oc2c(O1)cccc2
• Title of publication: (<i>E</i>)-2-[2-(4-Methylphenyl)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: o1172 - o1174
• a: 6.4402 ± 0.0009 Å
• b: 18.455 ± 0.003 Å
• c: 10.279 ± 0.0014 Å
• α: 90°
• β: 96.901 ± 0.003°
• γ: 90°
• Cell volume: 1212.8 ± 0.3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• 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: 0.0474
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes