Information card for entry 7212132

Structure parameters

• Formula: C50 H36 N4 O
• Calculated formula: C50 H36 N4 O
• SMILES: c1(c2cccc(c2)c2ccccc2N(c2ccccc2)c2ccccc2)oc(c2cccc(c2)c2ccccc2N(c2ccccc2)c2ccccc2)nn1
• Title of publication: Molecular design of host materials based on triphenylamine/oxadiazole hybrids for excellent deep-red phosphorescent organic light-emitting diodes
• Authors of publication: Tao, Youtian; Wang, Qiang; Ao, Liang; Zhong, Cheng; Qin, Jingui; Yang, Chuluo; Ma, Dongge
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2010
• Journal volume: 20
• Journal issue: 9
• Pages of publication: 1759
• a: 17.0777 ± 0.0005 Å
• b: 14.5272 ± 0.0005 Å
• c: 16.8848 ± 0.0005 Å
• α: 90°
• β: 115.574 ± 0.001°
• γ: 90°
• Cell volume: 3778.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.1296
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No