Information card for entry 1570295

Structure parameters

• Formula: C24 H15 N5
• Calculated formula: C24 H15 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: 14.2576 ± 0.0002 Å
• b: 29.1258 ± 0.0004 Å
• c: 9.4692 ± 0.0001 Å
• α: 90°
• β: 93.636 ± 0.001°
• γ: 90°
• Cell volume: 3924.3 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0557
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No