Information card for entry 4517159

Structure parameters

• Formula: C64 H62 N4 O
• Calculated formula: C64 H62 N4 O
• Title of publication: Achieving Enhanced Thermally Activated Delayed Fluorescence Rates and Shortened Exciton Lifetimes by Constructing Intramolecular Hydrogen Bonding Channels.
• Authors of publication: Wang, Liangying; Cai, Xinyi; Li, BinBin; Li, Mengke; Wang, Zhiheng; Gan, Lin; Qiao, Zhenyang; Xie, Wentao; Liang, Qiumin; Zheng, Nan; Liu, Kunkun; Su, Shi-Jian
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• a: 11.9149 ± 0.0001 Å
• b: 37.9796 ± 0.0002 Å
• c: 22.3564 ± 0.0002 Å
• α: 90°
• β: 90.099 ± 0.001°
• γ: 90°
• Cell volume: 10116.8 ± 0.14 ų
• Cell temperature: 135 ± 40 K
• Ambient diffraction temperature: 135 ± 40 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: 0.0355
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No