Information card for entry 7135301

Structure parameters

• Formula: C36 H23 F3 I N O
• Calculated formula: C36 H23 F3 I N O
• Title of publication: Annulated oxazolium salts as anion-π + interaction-enabled solid-state room-temperature phosphorescent materials
• Authors of publication: Jagota, Shivankar; Rana, Samim Sohel; Barman, Chhotan; Choudhury, Joyanta
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 6.9559 ± 0.0009 Å
• b: 28.73 ± 0.004 Å
• c: 14.9096 ± 0.0019 Å
• α: 90°
• β: 96.72 ± 0.002°
• γ: 90°
• Cell volume: 2959.1 ± 0.7 ų
• Cell temperature: 140 K
• Ambient diffraction temperature: 140 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No