Information card for entry 7218081

Structure parameters

• Formula: C26 H18 B F N2 O
• Calculated formula: C26 H18 B F N2 O
• SMILES: [n]12[B](Oc3cccc(ccc1)c23)(c1c(nccc1)F)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: 12.3765 ± 0.0007 Å
• b: 14.9478 ± 0.0009 Å
• c: 21.9246 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4056.1 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections: 0.1047
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No