Information card for entry 1576976

Structure parameters

• Formula: C23 H17 N O S2
• Calculated formula: C23 H17 N O S2
• Title of publication: Resonator-based add-drop filters enabled by flexible polymorphic crystals with TADF-RTP motifs
• Authors of publication: Pattanayak, Pradip; Khapre, Ankur; Ahmad, Shamim; Avulu, Vinod; Ray, Bishes; Kumar, Satendra; Reddy, Chilla Malla; Chandrasekar, Rajadurai; Purkayastha, Pradipta
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 5.6736 ± 0.0001 Å
• b: 17.756 ± 0.0005 Å
• c: 18.2577 ± 0.0004 Å
• α: 80.892 ± 0.002°
• β: 86.349 ± 0.002°
• γ: 86.928 ± 0.002°
• Cell volume: 1810.64 ± 0.07 ų
• Cell temperature: 99.98 ± 0.15 K
• Ambient diffraction temperature: 99.98 ± 0.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1843
• Weighted residual factors for all reflections included in the refinement: 0.1895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No