Information card for entry 7116634

Structure parameters

• Chemical name: 2,8-dichloro-cyclobuta[1,2-b:3,4-b']diquinoxaline
• Formula: C16 H6 Cl2 N4
• Calculated formula: C16 H6 Cl2 N4
• SMILES: c1cc(Cl)cc2c1nc1c(c3c1nc1c(ccc(c1)Cl)n3)n2
• Title of publication: Molecular packing and n-channel thin film transistors of chlorinated cyclobuta[1,2-b:3,4-b']diquinoxalines
• Authors of publication: Shuaijun Yang; Danqing Liu; Xiaomin Xu; Qian Miao
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 4275
• a: 3.8194 ± 0.0002 Å
• b: 19.4986 ± 0.0008 Å
• c: 8.9236 ± 0.0004 Å
• α: 90°
• β: 99.974 ± 0.002°
• γ: 90°
• Cell volume: 654.52 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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 all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No