Information card for entry 7237919

Structure parameters

• Formula: C46 H30 N4 S
• Calculated formula: C46 H30 N4 S
• Title of publication: Design, synthesis and amplified spontaneous emission of 1,2,5-benzothiadiazole derivatives
• Authors of publication: Martín, Raúl; Prieto, Pilar; Carrillo, José R.; Rodríguez, Ana M.; de Cozar, Abel; Boj, Pedro G.; Díaz-García, María A.; Ramírez, Manuel G.
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 32
• Pages of publication: 9996
• a: 8.2931 ± 0.0015 Å
• b: 9.7165 ± 0.0018 Å
• c: 11.682 ± 0.0016 Å
• α: 76.505 ± 0.005°
• β: 83.078 ± 0.005°
• γ: 75.073 ± 0.005°
• Cell volume: 882.6 ± 0.3 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.1522
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1557
• Weighted residual factors for all reflections included in the refinement: 0.2048
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No