Information card for entry 7249459

Structure parameters

• Formula: C33 H19 F3 N2 O2
• Calculated formula: C33 H19 F3 N2 O2
• Title of publication: Molecular design and functional outcomes of RTP and TADF traits in isomers
• Authors of publication: Chen, Meiling; Chen, Yuzhuo; Zhang, Ting; Zhang, Hua; Xiao, Zhiwen; Su, Zhongzhen; Wu, Yunan
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 44
• Pages of publication: 32221 - 32228
• a: 14.1951 ± 0.0003 Å
• b: 10.5832 ± 0.0002 Å
• c: 17.5467 ± 0.0003 Å
• α: 90°
• β: 98.318 ± 0.002°
• γ: 90°
• Cell volume: 2608.3 ± 0.09 ų
• Cell temperature: 292.9 ± 0.3 K
• Ambient diffraction temperature: 292.9 ± 0.3 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: 0.0772
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1798
• Weighted residual factors for all reflections included in the refinement: 0.1967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No