Information card for entry 7233477

Structure parameters

• Formula: C39 H25 Cl3 N4 O3
• Calculated formula: C39 H25 Cl3 N4 O3
• Title of publication: Oxadiazole- and triazole-based highly-efficient thermally activated delayed fluorescence emitters for organic light-emitting diodes
• Authors of publication: Jiyoung Lee; Katsuyuki Shizu; Hiroyuki Tanaka; Hiroko Nomura; Takuma Yasuda; Chihaya Adachi
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2013
• Journal volume: 1
• Pages of publication: 4599 - 4604
• a: 7.599 ± 0.005 Å
• b: 7.984 ± 0.005 Å
• c: 27.611 ± 0.015 Å
• α: 91.65 ± 0.04°
• β: 95.04 ± 0.04°
• γ: 108.88 ± 0.05°
• Cell volume: 1576 ± 1.7 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.3902
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No