Information card for entry 7234041

Structure parameters

• Chemical name: 1,6-Dichloro-5,10-Bis(8-oxyquinolinato)-5,10-dihydroboranthrene
• Formula: C30 H18 B2 Cl2 N2 O2
• Calculated formula: C30 H18 B2 Cl2 N2 O2
• SMILES: c12c(c(ccc1)Cl)[B@]1(c3c(c(ccc3)Cl)[B@@]32[n]2cccc4cccc(c24)O3)[n]2cccc3cccc(c23)O1
• Title of publication: Efficient 8-oxyquinolinato emitters based on a 9,10-dihydro-9,10-diboraanthracene scaffold for applications in optoelectronic devices
• Authors of publication: Krzysztof Durka; Ireneusz Glowacki; Sergiusz Lulinski; Beata Luszczynska; Jaromir Smetek; Pawel Szczepanik; Janusz Serwatowski; Urszula E. Wawrzyniak; Grzegorz Wesela-Bauman; Ewelina Witkowska; Gabriela Wiosna-Salyga; Krzysztof Wozniak
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 1354 - 1364
• a: 9.9401 ± 0.0003 Å
• b: 12.5613 ± 0.0005 Å
• c: 19.659 ± 0.0008 Å
• α: 90°
• β: 91.6 ± 0.003°
• γ: 90°
• Cell volume: 2453.68 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1225
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.1931
• Weighted residual factors for all reflections included in the refinement: 0.2238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No