Information card for entry 4336143

Structure parameters

• Formula: C19 H12 B F2 N3 O
• Calculated formula: C19 H12 B F2 N3 O
• SMILES: c1c2c3c(ccc2)O[B](c2cccnc2F)(c2c(nccc2)F)[n]3cc1
• Title of publication: Heteroleptic (2-Fluoro-3-pyridyl)arylborinic 8-Oxyquinolinates for the Potential Application in Organic Light-Emitting Devices
• Authors of publication: Grzegorz Wesela-Bauman; Paulina Ciećwierz; Krzysztof Durka; Sergiusz Luliński; Janusz Serwatowski; Krzysztof Woźniak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 10846 - 10859
• a: 6.991 ± 0.0006 Å
• b: 12.7231 ± 0.0012 Å
• c: 17.5105 ± 0.0015 Å
• α: 90°
• β: 91.999 ± 0.008°
• γ: 90°
• Cell volume: 1556.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1188
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.0584
• Goodness-of-fit parameter for all reflections included in the refinement: 0.705
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No