Information card for entry 7226760

Structure parameters

• Chemical name: 1,4-bis(3-(4-butylphenyl)quinoxalin-2-yl)benzene
• Formula: C42 H38 N4
• Calculated formula: C42 H38 N4
• SMILES: c1(nc2ccccc2nc1c1ccc(c2c(nc3ccccc3n2)c2ccc(cc2)CCCC)cc1)c1ccc(cc1)CCCC
• Title of publication: Design and Synthesis of Extended Quinoxaline Derivativesis and Their Charge Transport Properties
• Authors of publication: Yang, Jun Wei; Zhu, Haoyun; Huang, Yu Li; Huang, Wei; Wang, Weizhi
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 5.981 ± 0.004 Å
• b: 14.384 ± 0.004 Å
• c: 19.951 ± 0.003 Å
• α: 90°
• β: 92.31 ± 0.03°
• γ: 90°
• Cell volume: 1715 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1107
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No