Information card for entry 7034838

Structure parameters

• Formula: C27 H19 B F2 N2 O
• Calculated formula: C27 H19 B F2 N2 O
• SMILES: F[B]1(F)Oc2ccccc2c2n(c3ccccc3)c(c([n]12)c1ccccc1)c1ccccc1
• 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: 10.2847 ± 0.0004 Å
• b: 10.8082 ± 0.0004 Å
• c: 10.9755 ± 0.0004 Å
• α: 85.101 ± 0.003°
• β: 75.591 ± 0.003°
• γ: 67.342 ± 0.002°
• Cell volume: 1090.38 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No