Information card for entry 7034837

Structure parameters

• Formula: C29 H18 B F5 N2.5 O
• Calculated formula: C29 H18 B F5 N2.5 O
• SMILES: c12[n](c(c(n1c1ccc(C(F)(F)F)cc1)c1ccccc1)c1ccccc1)[B](F)(F)Oc1c2cccc1.N#CC
• Title of publication: Design, synthesis, photophysical and electrochemical properties of 2-(4,5-diphenyl-1-p-aryl-1H-imidazol-2-yl)phenol-based boron complexes.
• Authors of publication: Mukundam, Vanga; Dhanunjayarao, Kunchala; Chuang, Ching-Nan; Kang, Dun-Yen; Leung, Man-Kit; Hsieh, Kuo-Huang; Venkatasubbaiah, Krishnan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 22
• Pages of publication: 10228 - 10236
• a: 31.603 ± 0.004 Å
• b: 8.6107 ± 0.001 Å
• c: 22.928 ± 0.003 Å
• α: 90°
• β: 129.76 ± 0.011°
• γ: 90°
• Cell volume: 4796.3 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No