Information card for entry 7231893

Structure parameters

• Formula: C27 H19 N3 O2 S
• Calculated formula: C27 H19 N3 O2 S
• Title of publication: White-light generation from all-solution-processed OLEDs using a benzothiazole-salophen derivative reactive to the ESIPT process.
• Authors of publication: Duarte, Luís Gustavo Teixeira Alves; Germino, José Carlos; Berbigier, Jônatas Faleiro; Barboza, Cristina Aparecida; Faleiros, Marcelo Meira; de Alencar Simoni, Deborah; Galante, Miguel Tayar; de Holanda, Matheus Serra; Rodembusch, Fabiano Severo; Atvars, Teresa Dib Zambon
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 3
• Pages of publication: 1172 - 1182
• a: 12.7652 ± 0.0005 Å
• b: 6.1962 ± 0.0002 Å
• c: 26.7849 ± 0.0009 Å
• α: 90°
• β: 91.423 ± 0.002°
• γ: 90°
• Cell volume: 2117.92 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0548
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No