Information card for entry 7047520

Structure parameters

• Chemical name: 2,2'-(perfluoro-[1,1'-biphenyl]-2,2'-diyl)bis(2-([1,1'-biphenyl]-2-yl)-2H-2l4,3l4-[1,3,2]oxazaborolo[5,4,3-ij]quinoline)
• Formula: C54 H30 B2 F8 N2 O2
• Calculated formula: C54 H30 B2 F8 N2 O2
• Title of publication: The effect of conformational isomerism on the optical properties of bis(8-oxyquinolato) diboron complexes with a 2,2'-biphenyl backbone.
• Authors of publication: Urban, Mateusz; Górka, Patrycja; Nawara, Krzysztof; Woźniak, Krzysztof; Durka, Krzysztof; Luliński, Sergiusz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 44
• Pages of publication: 15670 - 15684
• a: 11.4963 ± 0.0002 Å
• b: 11.8442 ± 0.0002 Å
• c: 15.9638 ± 0.0003 Å
• α: 77.924 ± 0.002°
• β: 76.456 ± 0.002°
• γ: 81.249 ± 0.002°
• Cell volume: 2054.29 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0417
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No