Information card for entry 7130377

Structure parameters

• Chemical name: 4CzPN-PyPz
• Formula: C63 H38 N8
• Calculated formula: C63 H38 N8
• Title of publication: Efficiently increasing the radiative rate of TADF material with metal coordination.
• Authors of publication: Cai, Xian-Bao; Liang, Dong; Yang, Mingxue; Wu, Xiao-Yuan; Lu, Can-Zhong; Yu, Rongmin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• a: 15.3086 ± 0.0005 Å
• b: 11.2453 ± 0.0004 Å
• c: 26.5143 ± 0.001 Å
• α: 90°
• β: 93.018 ± 0.003°
• γ: 90°
• Cell volume: 4558.1 ± 0.3 ų
• Cell temperature: 100 ± 0.13 K
• Ambient diffraction temperature: 100 ± 0.13 K
• Number of distinct elements: 3
• 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: 0.0499
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No