Information card for entry 1557569

Structure parameters

• Formula: C27 H23 B F2 N2
• Calculated formula: C27 H23 B F2 N2
• SMILES: [B]1(F)([n]2c(=C(c3c4c(cc5ccccc35)cccc4)c3n1c(cc3C)C)c(C)cc2C)F
• Title of publication: Color-Tunable Delayed Fluorescence and Efficient Spin‒Orbit Charge Transfer Intersystem Crossing in Compact Carbazole-Anthracene-Bodipy Triads Employing the Sequential Electron Transfer Approach
• Authors of publication: Mahmood, Zafar; Taddei, Maria; Rehmat, Noreen; Bussotti, Laura; Doria, Sandra; Guan, Qinglin; Ji, Shaomin; Zhao, Jianzhang; Di Donato, Mariangela; Huo, Yanping; Xing, Yong Heng
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2020
• a: 14.7132 ± 0.0019 Å
• b: 20.895 ± 0.003 Å
• c: 7.2659 ± 0.0009 Å
• α: 90°
• β: 97.143 ± 0.002°
• γ: 90°
• Cell volume: 2216.4 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0946
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No