Information card for entry 7100081

Structure parameters

• Formula: C18 H18 B3 N3
• Calculated formula: C18 H18 B3 N3
• SMILES: N1(BN(BN(B1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Borazine Materials for Organic Optoelectronic Applications
• Authors of publication: Chi-ming Che.; Chi-Chung Kwok.; Iona H. T. Sham; Nianyong Zhu.
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 7.904 ± 0.002 Å
• b: 19.879 ± 0.004 Å
• c: 10.989 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1726.6 ± 0.6 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No