Information card for entry 7207306

Structure parameters

• Formula: C36 H24 N2
• Calculated formula: C36 H24 N2
• SMILES: c1(ccccc1n1c2ccccc2c2ccccc12)c1ccccc1n1c2ccccc2c2ccccc12
• Title of publication: Simple CBP isomers with high triplet energies for highly efficient blue electrophosphorescence
• Authors of publication: Gong, Shaolong; He, Xun; Chen, Yonghua; Jiang, Zuoquan; Zhong, Cheng; Ma, Dongge; Qin, Jingui; Yang, Chuluo
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 7
• Pages of publication: 2894
• a: 8.2215 ± 0.0005 Å
• b: 18.0008 ± 0.0011 Å
• c: 17.3401 ± 0.0011 Å
• α: 90°
• β: 100.406 ± 0.001°
• γ: 90°
• Cell volume: 2524 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 3
• 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: 0.0941
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No