Information card for entry 7237920

Structure parameters

• Formula: C48 H28 Cl6 N4 S
• Calculated formula: C48 H28 Cl6 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: 11.8955 ± 0.0016 Å
• b: 17.813 ± 0.002 Å
• c: 20.278 ± 0.003 Å
• α: 90°
• β: 95.537 ± 0.003°
• γ: 90°
• Cell volume: 4276.7 ± 1 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2317
• Residual factor for significantly intense reflections: 0.0898
• Weighted residual factors for significantly intense reflections: 0.2264
• Weighted residual factors for all reflections included in the refinement: 0.2921
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No