Information card for entry 4517291

Structure parameters

• Formula: C64 H71 B2 N S2
• Calculated formula: C64 H71 B2 N S2
• Title of publication: Pentacyclic Ladder-Heteraborin Emitters Exhibiting High-Efficiency Blue Thermally Activated Delayed Fluorescence with an Ultrashort Emission Lifetime
• Authors of publication: Agou, Tomohiro; Matsuo, Kyohei; Kawano, Rei; Park, In Seob; Hosoya, Takaaki; Fukumoto, Hiroki; Kubota, Toshio; Mizuhata, Yoshiyuki; Tokitoh, Norihiro; Yasuda, Takuma
• Journal of publication: ACS Materials Letters
• Year of publication: 2019
• Pages of publication: 28
• a: 46.4273 ± 0.0018 Å
• b: 22.7246 ± 0.0013 Å
• c: 10.8682 ± 0.0005 Å
• α: 90°
• β: 103.413 ± 0.004°
• γ: 90°
• Cell volume: 11153.6 ± 0.9 ų
• Cell temperature: 103 ± 3 K
• Ambient diffraction temperature: 103 ± 3 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: 0.1279
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No