Information card for entry 2200061

Structure parameters

• Chemical name: (E)-2-(2-phenylethenyl)-1,3,2-benzodioxaborole
• Formula: C14 H11 B O2
• Calculated formula: C14 H11 B O2
• SMILES: C(=C/c1ccccc1)\B1Oc2c(O1)cccc2
• Title of publication: A 2-styrylboronate ester
• Authors of publication: Clegg, William; Marder, Todd B.; Scott, Andrew J.; Wiesauer, Christian; Weissensteiner, Walter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: o63 - o65
• a: 6.8351 ± 0.0009 Å
• b: 7.6342 ± 0.001 Å
• c: 21.422 ± 0.003 Å
• α: 90°
• β: 96.447 ± 0.003°
• γ: 90°
• Cell volume: 1110.7 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes