Information card for entry 1560366

Structure parameters

• Chemical name: 9-[(<i>Z</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>Z</i>)-2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-9<i>H</i>-carbazole
• Authors of publication: Kanagawa, Mayu; Akagi, Kazuto; Okuno, Tsunehisa
• Journal of publication: IUCrData
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 2
• Pages of publication: x210142
• a: 8.204 ± 0.003 Å
• b: 9.7 ± 0.005 Å
• c: 11.33 ± 0.005 Å
• α: 80.975 ± 0.015°
• β: 81.242 ± 0.017°
• γ: 78.726 ± 0.017°
• Cell volume: 866.4 ± 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 all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes