Information card for entry 1570294

Structure parameters

• Formula: C24 H10 F4 N2
• Calculated formula: C24 H10 F4 N2
• 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: 14.0212 ± 0.0003 Å
• b: 8.3368 ± 0.0002 Å
• c: 15.4457 ± 0.0004 Å
• α: 90°
• β: 100.715 ± 0.002°
• γ: 90°
• Cell volume: 1774 ± 0.07 ų
• Cell temperature: 99.97 ± 0.12 K
• Ambient diffraction temperature: 99.97 ± 0.12 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No