Information card for entry 4032628

Structure parameters

• Formula: C19 H13 B F2 N2
• Calculated formula: C19 H13 B F2 N2
• SMILES: [B]1(F)(F)n2c3ccccc3ccc2=Cc2ccc3ccccc3[n]12
• Title of publication: Boron dipyridylmethene (DIPYR) dyes: shedding light on pyridine-based chromophores.
• Authors of publication: Golden, Jessica H.; Facendola, John W.; Sylvinson, Daniel; Baez, Cecilia Quintana; Djurovich, Peter I.; Thompson, Mark E.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• a: 7.047 ± 0.003 Å
• b: 13.916 ± 0.005 Å
• c: 14.573 ± 0.005 Å
• α: 90°
• β: 92.186 ± 0.006°
• γ: 90°
• Cell volume: 1428.1 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0836
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No