Information card for entry 7025190

Structure parameters

• Formula: C38 H28 B Cl3 N2 O2
• Calculated formula: C38 H28 B Cl3 N2 O2
• SMILES: [n]12c3c4c(O[B]2(Oc2c(c1ccc3)cc(cc2)C)c1ccc(n2c3c(c5c2cccc5)cccc3)cc1)ccc(c4)C.ClC(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: 10.324 ± 0.002 Å
• b: 29.638 ± 0.006 Å
• c: 11.364 ± 0.002 Å
• α: 90°
• β: 106.61 ± 0.03°
• γ: 90°
• Cell volume: 3332.1 ± 1.2 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: 0.1322
• Residual factor for significantly intense reflections: 0.0833
• Weighted residual factors for significantly intense reflections: 0.2607
• Weighted residual factors for all reflections included in the refinement: 0.3101
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No