Information card for entry 7116636

Structure parameters

• Chemical name: 2,3,8,9-tetrachloro-cyclobuta[1,2-b:3,4-b']diquinoxaline
• Formula: C16 H4 Cl4 N4
• Calculated formula: C16 H4 Cl4 N4
• SMILES: c1(c(cc2c(c1)nc1c(c3c1nc1c(cc(c(c1)Cl)Cl)n3)n2)Cl)Cl
• 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: 5.8383 ± 0.0002 Å
• b: 6.0989 ± 0.0002 Å
• c: 10.5832 ± 0.0004 Å
• α: 82.636 ± 0.002°
• β: 76.077 ± 0.002°
• γ: 82.498 ± 0.002°
• Cell volume: 360.8 ± 0.02 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No