Information card for entry 7201752

Structure parameters

• Formula: C50 H34 N2 S
• Calculated formula: C50 H34 N2 S
• Title of publication: A new type of light-emitting naphtho[2,3-c][1,2,5]thiadiazole derivatives: synthesis, photophysical characterization and transporting properties
• Authors of publication: Wei, Peng; Duan, Lian; Zhang, Deqiang; Qiao, Juan; Wang, Liduo; Wang, Ruji; Dong, Guifang; Qiu, Yong
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2008
• Journal volume: 18
• Journal issue: 7
• Pages of publication: 806
• a: 6.0191 ± 0.0011 Å
• b: 9.059 ± 0.002 Å
• c: 17.191 ± 0.006 Å
• α: 100.69 ± 0.02°
• β: 95.305 ± 0.019°
• γ: 91.741 ± 0.015°
• Cell volume: 916.1 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.2145
• Residual factor for significantly intense reflections: 0.1114
• Weighted residual factors for significantly intense reflections: 0.2111
• Weighted residual factors for all reflections included in the refinement: 0.2355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No