Information card for entry 7227664

Structure parameters

• Formula: C45 H39 B N2
• Calculated formula: C45 H39 B N2
• SMILES: n1(c2c(nc1c1ccccc1)c1ccccc1c1c2cccc1)c1ccc(cc1)B(c1c(cc(C)cc1C)C)c1c(C)cc(C)cc1C
• Title of publication: Synthesis and photophysical properties of phenanthroimidazole–triarylborane dyads: intriguing ‘turn-on’ sensing mediated by fluoride anions
• Authors of publication: You, Dong Kyun; Lee, Seon Hee; Lee, Ji Hye; Kwak, Sang Woo; Hwang, Hyonseok; Lee, Junseong; Chung, Yongseog; Park, Myung Hwan; Lee, Kang Mun
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 17
• Pages of publication: 10345
• a: 8.6872 ± 0.0002 Å
• b: 13.4379 ± 0.0003 Å
• c: 17.4444 ± 0.0004 Å
• α: 84.593 ± 0.002°
• β: 83.569 ± 0.002°
• γ: 84.507 ± 0.002°
• Cell volume: 2007.12 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1099
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No