Information card for entry 7100692

Structure parameters

• Formula: C43 H41 B N2 O2
• Calculated formula: C43 H41 B N2 O2
• SMILES: C(CCC)c1ccc(N(c2ccc([B]34Oc5ccccc5c5[n]4c(ccc5)c4ccccc4O3)cc2)c2ccc(cc2)CCCC)cc1
• Title of publication: Efficient Single-layer Electroluminescent Device Based on a Bipolar Emitting Boron-containing Material
• Authors of publication: Yue Wang; Cheng Huo; Wenjing Tian; Hongyu Zhang; Jingying Zhang; Peng Zhang
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 16.815 ± 0.003 Å
• b: 10.182 ± 0.002 Å
• c: 20.772 ± 0.004 Å
• α: 90°
• β: 99.93 ± 0.03°
• γ: 90°
• Cell volume: 3503.3 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No