Information card for entry 2233133

Structure parameters

• Chemical name: 9-[(<i>E</i>)-2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]- 9<i>H</i>-carbazole
• Formula: C20 H22 B N O2
• Calculated formula: C20 H22 B N O2
• SMILES: O1C(C(OB1/C=C/n1c2ccccc2c2ccccc12)(C)C)(C)C
• Title of publication: 9-[(<i>E</i>)-2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-9<i>H</i>-carbazole
• Authors of publication: Hatayama, Yuki; Okuno, Tsunehisa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o84
• a: 11.616 ± 0.003 Å
• b: 12.962 ± 0.003 Å
• c: 12.99 ± 0.003 Å
• α: 83.62 ± 0.011°
• β: 85.632 ± 0.011°
• γ: 64.647 ± 0.006°
• Cell volume: 1755.6 ± 0.7 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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 significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes