Information card for entry 7124177

Structure parameters

• Formula: C26 H16 N2 O2
• Calculated formula: C26 H16 N2 O2
• Title of publication: Phthalimide-based “D-N-A” emitters with thermally activated delayed fluorescence and isomer-dependent room-temperature phosphorescence properties
• Authors of publication: Zhang, Liang; Li, Meng; Hu, Taiping; Wang, Yin-Feng; Shen, Yi-Fan; Yi, Yuanping; Lu, Hai-Yan; Gao, Qingyu; Chen, Chuan-Feng
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 12.726 ± 0.003 Å
• b: 16.762 ± 0.004 Å
• c: 17.775 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3791.6 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.348
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No