Information card for entry 7234042

Structure parameters

• Chemical name: 2,3,7,8-tetrafluoro-5,10-bis(8-oxyquinolinato)-5,10-dihydroboranthrene
• Formula: C30 H16 B2 F4 N2 O2
• Calculated formula: C30 H16 B2 F4 N2 O2
• SMILES: Fc1cc2c(cc1F)[B]1(Oc3c4[n]1cccc4ccc3)c1c([B]32Oc2c4[n]3cccc4ccc2)cc(F)c(F)c1
• 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: 10.9289 ± 0.0005 Å
• b: 11.3491 ± 0.0005 Å
• c: 12.0394 ± 0.0006 Å
• α: 64.416 ± 0.005°
• β: 64.811 ± 0.005°
• γ: 84.204 ± 0.004°
• Cell volume: 1212.51 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0624
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No