Information card for entry 7218080

Structure parameters

• Formula: C26 H18 B F N2 O
• Calculated formula: C26 H18 B F N2 O
• SMILES: O1[B]([n]2cccc3cccc1c23)(c1c(F)nccc1)c1c(cccc1)c1ccccc1
• Title of publication: Charge transfer properties of two polymorphs of luminescent (2-fluoro-3-pyridyl)(2,2'-biphenyl)borinic 8-oxyquinolinate.
• Authors of publication: Wesela-Bauman, Grzegorz; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 41
• Pages of publication: 22762 - 22774
• a: 11.18331 ± 0.00013 Å
• b: 12.02706 ± 0.00013 Å
• c: 15.06878 ± 0.00016 Å
• α: 91.5953 ± 0.0009°
• β: 91.9937 ± 0.0009°
• γ: 96.6478 ± 0.0009°
• Cell volume: 2010.9 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No