Information card for entry 7025189

Structure parameters

• Formula: C35 H23 B N2 O2
• Calculated formula: C35 H23 B N2 O2
• SMILES: O1c2c(c3[n]4c(c5c(O[B]14c1ccc(n4c6ccccc6c6c4cccc6)cc1)cccc5)ccc3)cccc2
• 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: 11.376 ± 0.002 Å
• b: 19.307 ± 0.004 Å
• c: 12.927 ± 0.003 Å
• α: 90°
• β: 111.6 ± 0.03°
• γ: 90°
• Cell volume: 2639.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No