Information card for entry 1575475

Structure parameters

• Formula: C30 H38 I2 N2 O6
• Calculated formula: C30 H38 I2 N2 O6
• 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: 8.9463 ± 0.0001 Å
• b: 12.7534 ± 0.0003 Å
• c: 17.3129 ± 0.0003 Å
• α: 105.939 ± 0.002°
• β: 93.744 ± 0.002°
• γ: 94.017 ± 0.001°
• Cell volume: 1887.35 ± 0.06 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 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: 0.0804
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1966
• Weighted residual factors for all reflections included in the refinement: 0.2054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No