Information card for entry 7047519

Structure parameters

• Formula: C54 H38 B2 N2 O2
• Calculated formula: C54 H38 B2 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: 21.956 ± 0.007 Å
• b: 10.8039 ± 0.0009 Å
• c: 18.984 ± 0.009 Å
• α: 90°
• β: 119.63 ± 0.04°
• γ: 90°
• Cell volume: 3914 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1302
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1832
• Weighted residual factors for all reflections included in the refinement: 0.2347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No