Information card for entry 7131290

Structure parameters

• Formula: C42 H32 N4
• Calculated formula: C42 H32 N4
• SMILES: N1(c2ccccc2CCc2ccccc12)c1ccc(N2c3ccccc3c3nc4cc(c(cc4nc3c3ccccc23)C)C)cc1
• Title of publication: V-shaped donor–acceptor organic emitters. A new approach towards efficient TADF OLED devices
• Authors of publication: Derkowski, Wojciech; Kumar, Dharmandra; Gryber, Tomasz; Wagner, Jakub; Morawiak, Maja; Kochman, Michał Andrzej; Kubas, Adam; Data, Przemysław; Lindner, Marcin
• Journal of publication: Chemical Communications
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 19
• Pages of publication: 2815 - 2818
• a: 10.7776 ± 0.0003 Å
• b: 11.731 ± 0.0003 Å
• c: 13.5047 ± 0.0003 Å
• α: 83.888 ± 0.002°
• β: 74.717 ± 0.002°
• γ: 67.276 ± 0.001°
• Cell volume: 1519.17 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No