Information card for entry 7116632

Structure parameters

• Formula: C16 H8 N4
• Calculated formula: C16 H8 N4
• SMILES: c12nc3c(cccc3)nc1c1c2nc2ccccc2n1
• 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: 4.6304 ± 0.0017 Å
• b: 14.479 ± 0.006 Å
• c: 8.886 ± 0.003 Å
• α: 90°
• β: 90.402 ± 0.007°
• γ: 90°
• Cell volume: 595.7 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1155
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1842
• Weighted residual factors for all reflections included in the refinement: 0.2114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No