Information card for entry 7135302

Structure parameters

• Chemical name: JC_SJ_HI
• Formula: C38 H29 I N2 O2
• Calculated formula: C38 H29 I N2 O2
• 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: 14.085 ± 0.003 Å
• b: 7.2681 ± 0.0008 Å
• c: 15.308 ± 0.003 Å
• α: 90°
• β: 97.143 ± 0.005°
• γ: 90°
• Cell volume: 1554.9 ± 0.5 ų
• Cell temperature: 125 K
• Ambient diffraction temperature: 125 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No