Information card for entry 1570293

Structure parameters

• Formula: C26 H17 N5
• Calculated formula: C26 H17 N5
• Title of publication: Thermally activated delayed fluorescence in a mechanically soft charge-transfer complex: role of the locally excited state.
• Authors of publication: Kalita, Kalyan Jyoti; Mondal, Saikat; Reddy, C. Malla; Vijayaraghavan, Ratheesh K.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 47
• Pages of publication: 13870 - 13878
• a: 6.6187 ± 0.0002 Å
• b: 9.1334 ± 0.0003 Å
• c: 16.8821 ± 0.0005 Å
• α: 95.636 ± 0.003°
• β: 94.087 ± 0.002°
• γ: 94.166 ± 0.003°
• Cell volume: 1009.76 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.2065
• Weighted residual factors for all reflections included in the refinement: 0.2183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No