Information card for entry 7100080

Structure parameters

• Formula: C36 H33 B3 N6
• Calculated formula: C36 H33 B3 N6
• SMILES: N1B(NB(NB1N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1)N(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: 14.818 ± 0.002 Å
• b: 14.818 ± 0.002 Å
• c: 24.856 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4726.5 ± 1.3 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 4
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No