Information card for entry 2231177

Structure parameters

• Chemical name: 9-Phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9<i>H</i>- carbazole
• Formula: C30 H35 B2 N O4
• Calculated formula: C30 H35 B2 N O4
• SMILES: O1C(C(OB1c1ccc2c(c3c(n2c2ccccc2)ccc(c3)B2OC(C(O2)(C)C)(C)C)c1)(C)C)(C)C
• Title of publication: 9-Phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9<i>H</i>-carbazole
• Authors of publication: Wu, Weibing; Tang, Jinan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1919
• a: 13.974 ± 0.006 Å
• b: 11.935 ± 0.005 Å
• c: 34.494 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5753 ± 4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1141
• Residual factor for significantly intense reflections: 0.0933
• Weighted residual factors for significantly intense reflections: 0.2256
• Weighted residual factors for all reflections included in the refinement: 0.2416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes