Information card for entry 1568903

Structure parameters

• Formula: C41 H31 N O
• Calculated formula: C41 H31 N O
• Title of publication: Molecular engineering of locked alkyl aryl carbonyl-based thermally activated delayed fluorescence emitters <i>via</i> a cascade C-H activation process.
• Authors of publication: Zhang, Yunxi; Huang, Zhengmei; Yang, Yudong; Liu, Jiahui; Tian, Yang; Bin, Zhengyang; You, Jingsong
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 19
• Pages of publication: 5125 - 5131
• a: 8.8902 ± 0.0014 Å
• b: 12.895 ± 0.002 Å
• c: 14.568 ± 0.002 Å
• α: 67.108 ± 0.005°
• β: 72.348 ± 0.006°
• γ: 76.144 ± 0.006°
• Cell volume: 1452 ± 0.4 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No