Information card for entry 1575474

Structure parameters

• Formula: C40 H64 I4 N4 O12
• Calculated formula: C40 H64 I4 N4 O12
• Title of publication: Metal-free pyridinium salts with strong room-temperature phosphorescence and microsecond radiative lifetime.
• Authors of publication: Hakkarainen, Eetu; Lin, Hao-Cheng; Nechaev, Anton A.; Peshkov, Vsevolod A.; Eskelinen, Toni; Chang, Kai-Hsin; Liao, Tzu-Hao; Chen, Po-Yu; Koshevoy, Igor O.; Lin, Hao-Wu; Chou, Pi-Tai; Belyaev, Andrey
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 37
• Pages of publication: 17261 - 17267
• a: 6.3438 ± 0.0002 Å
• b: 12.3508 ± 0.0004 Å
• c: 15.0717 ± 0.0004 Å
• α: 90°
• β: 98.931 ± 0.003°
• γ: 90°
• Cell volume: 1166.57 ± 0.06 ų
• Cell temperature: 120 ± 11 K
• Ambient diffraction temperature: 120 ± 11 K
• Number of distinct elements: 5
• 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: 0.0269
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No