Information card for entry 7044827

Structure parameters

• Formula: C39 H29 B N2 O
• Calculated formula: C39 H29 B N2 O
• SMILES: O1c2c(c3[n](c(c(n3c3ccccc3)c3ccccc3)c3ccccc3)[B]1(c1ccccc1)c1ccccc1)cccc2
• Title of publication: 2-(2-Hydroxyphenyl)imidazole-based four-coordinate organoboron compounds with efficient deep blue photoluminescence and electroluminescence.
• Authors of publication: Zhang, Zhenyu; Zhang, Zuolun; Zhang, Hongyu; Wang, Yue
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 47
• Journal issue: 1
• Pages of publication: 127 - 134
• a: 10.144 ± 0.002 Å
• b: 11.51 ± 0.002 Å
• c: 14.188 ± 0.003 Å
• α: 77.15 ± 0.03°
• β: 77.52 ± 0.03°
• γ: 69.49 ± 0.03°
• Cell volume: 1495.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No