Information card for entry 1511930

Structure parameters

• Formula: C48 H26 B2 N6 O3
• Calculated formula: C48 H26 B2 N6 O3
• SMILES: [n]12[B]34n5c(nc6c5c5c(c7c6cccc7)cccc5)c2ccc2cccc(O[B]5([n]6c7c(O4)cccc7ccc6c4n5c5c(n4)c4c(c6c5cccc6)cccc4)O3)c12
• Title of publication: Phenanthro[9,10-d]imidazole-quinoline Boron Difluoride Dyes with Solid-State Red Fluorescence.
• Authors of publication: Li, Weiling; Lin, Weiying; Wang, Jiaoliang; Guan, Xiaoyu
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 7
• Pages of publication: 1768 - 1771
• a: 13.009 ± 0.004 Å
• b: 14.636 ± 0.005 Å
• c: 22.764 ± 0.007 Å
• α: 78.187 ± 0.009°
• β: 75.189 ± 0.007°
• γ: 79.83 ± 0.007°
• Cell volume: 4066 ± 2 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: 0.2637
• Residual factor for significantly intense reflections: 0.0923
• Weighted residual factors for significantly intense reflections: 0.1931
• Weighted residual factors for all reflections included in the refinement: 0.2354
• Goodness-of-fit parameter for all reflections included in the refinement: 0.756
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No