Information card for entry 7201753

Structure parameters

• Formula: C34 H22 N2 S
• Calculated formula: C34 H22 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: 9.3698 ± 0.001 Å
• b: 28.45 ± 0.003 Å
• c: 9.4857 ± 0.0011 Å
• α: 90°
• β: 107.178 ± 0.003°
• γ: 90°
• Cell volume: 2415.8 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1079
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No