Information card for entry 7135303

Structure parameters

• Formula: C35 H24 I N O
• Calculated formula: C35 H24 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: 25.9967 ± 0.0013 Å
• b: 13.28 ± 0.0005 Å
• c: 17.7015 ± 0.0008 Å
• α: 90°
• β: 93.282 ± 0.002°
• γ: 90°
• Cell volume: 6101.2 ± 0.5 ų
• Cell temperature: 140 K
• Ambient diffraction temperature: 140 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No