Information card for entry 1572638

Structure parameters

• Formula: C89 H90 B N3 O2
• Calculated formula: C89 H90 B N3 O2
• 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; Naranjo, Juan; Zinna, Francesco; Frédéric, Lucas; Cordes, David Bradford; McKay, Aidan P.; Fuchter, Matthew; Zhang, Xiaohong; Zysman-Colman, Eli
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 10.53694 ± 0.00004 Å
• b: 20.05694 ± 0.00009 Å
• c: 33.47918 ± 0.00014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7075.45 ± 0.05 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• 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: 0.0382
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No