Information card for entry 2200962

Structure parameters

• Chemical name: (E)-2-Styryl-[1,3,6,2]dioxazaborolane
• Formula: C12 H16 B N O2
• Calculated formula: C12 H16 B N O2
• SMILES: O1CCNCCOB1/C=C/c1ccccc1
• Title of publication: (<i>E</i>)-2-Styryl-[1,3,6,2]dioxazaborolane
• Authors of publication: Thadani, Avinash N.; Batey, Robert A.; Lough, Alan J.; Smil, David V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: o238 - o239
• a: 13.3725 ± 0.0004 Å
• b: 9.7045 ± 0.0003 Å
• c: 8.92 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1157.58 ± 0.06 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes