Information card for entry 7233218

Structure parameters

• Formula: C20 H8 N2 S4
• Calculated formula: C20 H8 N2 S4
• SMILES: s1ccc2c1c1nc3c(nc1c1sccc21)c1ccsc1c1sccc31
• Title of publication: Synthesis, optical properties and charge transport characteristics of a series of novel thiophene-fused phenazine derivatives
• Authors of publication: Yongfa Xie; Takuya Fujimoto; Simon Dalgleish; Yoshiaki Shuku; Michio M. Matsushita; Kunio Awaga
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2013
• Journal volume: 1
• Pages of publication: 3467 - 3481
• a: 12.5806 ± 0.0012 Å
• b: 4.8247 ± 0.0005 Å
• c: 13.7178 ± 0.0013 Å
• α: 90°
• β: 96.563 ± 0.002°
• γ: 90°
• Cell volume: 827.18 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No