Information card for entry 1576297

Structure parameters

• Formula: C36 H23 N3 S
• Calculated formula: C36 H23 N3 S
• Title of publication: Phenothiazine-Based TADF Emitters with Dual Conformations for Single-Molecule White OLEDs
• Authors of publication: Prabhu, Pavithra V.; Darshan, Vibhu; Divya, Indira S.; Banerjee, Moumita; Varughese, Sunil; Anoop, Anakuthil; Narayanan Unni, K. N.; Joseph, Joshy
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 9.951 ± 0.003 Å
• b: 15.168 ± 0.004 Å
• c: 20.652 ± 0.006 Å
• α: 96.853 ± 0.009°
• β: 102.191 ± 0.008°
• γ: 104.278 ± 0.008°
• Cell volume: 2904 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1401
• Residual factor for significantly intense reflections: 0.1093
• Weighted residual factors for significantly intense reflections: 0.2661
• Weighted residual factors for all reflections included in the refinement: 0.2876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No