Information card for entry 7025191

Structure parameters

• Formula: C50 H44 B Cl3 N2 O2
• Calculated formula: C50 H44 B Cl3 N2 O2
• SMILES: [B]12(c3ccc(cc3)c3ccc(cc3)n3c4ccc(cc4c4cc(ccc34)C(C)(C)C)C(C)(C)C)[n]3c(c4c(cccc4)O1)cccc3c1ccccc1O2.C(Cl)(Cl)Cl
• Title of publication: Carbazolyl-contained phenol-pyridyl boron complexes: syntheses, structures, photoluminescent and electroluminescent properties
• Authors of publication: Zhang, Zuolun; Yao, Dandan; Zhao, Shanshan; Gao, Hongze; Fan, Yan; Su, Zhongmin; Zhang, Hongyu; Wang, Yue
• Journal of publication: Dalton Transactions
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 21
• Pages of publication: 5123
• a: 32.791 ± 0.007 Å
• b: 11.692 ± 0.002 Å
• c: 11.615 ± 0.002 Å
• α: 90°
• β: 90.69 ± 0.03°
• γ: 90°
• Cell volume: 4452.8 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.209
• Residual factor for significantly intense reflections: 0.1057
• Weighted residual factors for significantly intense reflections: 0.2585
• Weighted residual factors for all reflections included in the refinement: 0.316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No