Information card for entry 1511929

Structure parameters

• Formula: C24 H14 B F2 N3
• Calculated formula: C24 H14 B F2 N3
• SMILES: F[B]1(F)[n]2c3ccccc3ccc2c2n1c1c(n2)c2c(c3c1cccc3)cccc2
• 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: 12.5133 ± 0.0011 Å
• b: 8.5931 ± 0.0008 Å
• c: 17.3356 ± 0.0015 Å
• α: 90°
• β: 107.854 ± 0.002°
• γ: 90°
• Cell volume: 1774.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No