Information card for entry 7206040

Structure parameters

• Formula: C36 H28 B2 N4
• Calculated formula: C36 H28 B2 N4
• SMILES: c1c(c2cc3c(cc2)NB(c2ccc(cc2)c2ccccc2)N3)ccc2c1NB(N2)c1ccc(cc1)c1ccccc1
• Title of publication: Organic field-effect transistors based on novel organic semiconductors containing diazaboroles
• Authors of publication: Kojima, Takahiro; Kumaki, Daisuke; Nishida, Jun-ichi; Tokito, Shizuo; Yamashita, Yoshiro
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2011
• Journal volume: 21
• Journal issue: 18
• Pages of publication: 6607
• a: 8.6051 ± 0.0004 Å
• b: 5.5304 ± 0.0002 Å
• c: 27.6946 ± 0.0011 Å
• α: 90°
• β: 97.8185 ± 0.0016°
• γ: 90°
• Cell volume: 1305.72 ± 0.09 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No