Information card for entry 7233220

Structure parameters

• Formula: C44 H56 N2 S4
• Calculated formula: C44 H55.88 N2 S4
• 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: 4.8942 ± 0.0014 Å
• b: 12.751 ± 0.003 Å
• c: 17.057 ± 0.005 Å
• α: 76.147 ± 0.011°
• β: 84.81 ± 0.013°
• γ: 72.178 ± 0.01°
• Cell volume: 983.7 ± 0.5 ų
• Cell temperature: 123.1 K
• Ambient diffraction temperature: 123.1 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 significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.427
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No