Information card for entry 7201000

Structure parameters

• Formula: C50 H35 Cl2 N3
• Calculated formula: C50 H35 Cl2 N3
• SMILES: ClCCl.N(c1cc2C3(c4cc(ccc4c2cc1)C=C(c1ccccc1)c1ccccc1)c1cccnc1c1ncccc31)(c1ccccc1)c1ccccc1
• 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: 12.5133 ± 0.0003 Å
• b: 34.5307 ± 0.0008 Å
• c: 8.9169 ± 0.0002 Å
• α: 90°
• β: 100.493 ± 0.002°
• γ: 90°
• Cell volume: 3788.5 ± 0.15 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0782
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 0.776
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No