Information card for entry 7249457

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: 26.4492 ± 0.001 Å
• b: 16.7231 ± 0.0006 Å
• c: 5.3699 ± 0.0002 Å
• α: 90°
• β: 94.146 ± 0.004°
• γ: 90°
• Cell volume: 2368.96 ± 0.15 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.1138
• Residual factor for significantly intense reflections: 0.0901
• Weighted residual factors for significantly intense reflections: 0.2456
• Weighted residual factors for all reflections included in the refinement: 0.267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No