Information card for entry 1572637

Structure parameters

• Formula: C70 H65 B N2
• Calculated formula: C70 H65 B N2
• SMILES: n12c3cccc4N5c6c(B(c34)c3c(ccc(c4ccc(cc14)c1ccc(cc1)C(C)(C)C)c23)c1ccc(cc1)C(C)(C)C)c(ccc6c1ccc(cc51)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C
• Title of publication: Helically chiral multiresonant thermally activated delayed fluorescent emitters and their use in hyperfluorescent organic light-emitting diodes.
• Authors of publication: Wang, Jingxiang; Chen, Dongyang; Moreno-Naranjo, Juan Manuel; Zinna, Francesco; Frédéric, Lucas; Cordes, David B.; McKay, Aidan P.; Fuchter, Matthew J.; Zhang, Xiaohong; Zysman-Colman, Eli
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 41
• Pages of publication: 16917 - 16927
• a: 13.4271 ± 0.0005 Å
• b: 13.9487 ± 0.0004 Å
• c: 19.3551 ± 0.0008 Å
• α: 102.551 ± 0.003°
• β: 105.385 ± 0.004°
• γ: 106.129 ± 0.003°
• Cell volume: 3187.5 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.1386
• Residual factor for significantly intense reflections: 0.0983
• Weighted residual factors for significantly intense reflections: 0.2922
• Weighted residual factors for all reflections included in the refinement: 0.3208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No