Information card for entry 4342547

Structure parameters

• Formula: C31 H23 B N2 O
• Calculated formula: C31 H23 B N2 O
• SMILES: [B]1(Oc2ccccc2c2[n]1c1ccccc1n2c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: 2-(2-Hydroxyphenyl)benzimidazole-Based Four-Coordinate Boron-Containing Materials with Highly Efficient Deep-Blue Photoluminescence and Electroluminescence.
• Authors of publication: Zhang, Zhenyu; Zhang, Houyu; Jiao, Chuanjun; Ye, Kaiqi; Zhang, Hongyu; Zhang, Jingying; Wang, Yue
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 2652 - 2659
• a: 13.918 ± 0.002 Å
• b: 18.38 ± 0.003 Å
• c: 18.813 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4812.6 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0899
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No