Information card for entry 7201001

Structure parameters

• Formula: C49 H35 N3
• Calculated formula: C49 H35 N3
• SMILES: n1c(C2(c3cc(N(c4ccccc4)c4ccccc4)ccc3c3ccc(cc23)C=C(c2ccccc2)c2ccccc2)c2ncccc2)cccc1
• Title of publication: Achieving high-efficiency non-doped blue organic light-emitting diodes: charge-balance control of bipolar blue fluorescent materials with reduced hole-mobility
• Authors of publication: Chi, Chih-Chin; Chiang, Chih-Long; Liu, Shun-Wei; Yueh, Han; Chen, Chin-Ti; Chen, Chao-Tsen
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2009
• Journal volume: 19
• Journal issue: 31
• Pages of publication: 5561
• a: 13.1622 ± 0.0006 Å
• b: 25.6042 ± 0.0011 Å
• c: 10.9596 ± 0.0005 Å
• α: 90°
• β: 107.046 ± 0.002°
• γ: 90°
• Cell volume: 3531.2 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.1094
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 0.685
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No