Information card for entry 1564941

Structure parameters

• Formula: C43 H32 N4 O
• Calculated formula: C43 H32 N4 O
• SMILES: n1c(nc(nc1c1ccccc1)c1ccccc1)c1cc2c(N3c4c(Oc5c3cccc5)cccc4)cc1CCc1ccc(cc1)CC2
• Title of publication: D-π*-A type planar chiral TADF materials for efficient circularly polarized electroluminescence.
• Authors of publication: Zhang, Da-Wei; Teng, Jin-Ming; Wang, Yin-Feng; Han, Xiao-Ni; Li, Meng; Chen, Chuan-Feng
• Journal of publication: Materials horizons
• Year of publication: 2021
• Journal volume: 8
• Journal issue: 12
• Pages of publication: 3417 - 3423
• a: 8.2902 ± 0.0001 Å
• b: 12.9328 ± 0.0001 Å
• c: 29.8623 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3201.7 ± 0.05 ų
• Cell temperature: 170.01 ± 0.18 K
• Ambient diffraction temperature: 170.01 ± 0.18 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No