Information card for entry 7235031

Structure parameters

• Chemical name: 1,4-bis(4,2':6'4''-terpyridin-4'-yl)benzene
• Formula: C36 H24 N6
• Calculated formula: C36 H24 N6
• SMILES: n1ccc(cc1)c1nc(cc(c1)c1cccc(c1)c1cc(nc(c1)c1ccncc1)c1ccncc1)c1ccncc1
• Title of publication: Fundamental functions of peripheral and core pyridine rings in a series of bis-terpyridine derivatives for high-performance organic light-emitting devices
• Authors of publication: Yuichiro Watanabe; Ryo Yoshioka; Hisahiro Sasabe; Takahiro Kamata; Hiroshi Katagiri; Daisuke Yokoyama; Junji Kido
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 8980 - 8988
• a: 7.5568 ± 0.0005 Å
• b: 32.8316 ± 0.0017 Å
• c: 10.9474 ± 0.0007 Å
• α: 90°
• β: 109.928 ± 0.003°
• γ: 90°
• Cell volume: 2553.4 ± 0.3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0488
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No