Information card for entry 1575316

Structure parameters

• Chemical name: BO-4DBT
• Formula: C38 H33 B O2 S
• Calculated formula: C38 H33 B O2 S
• Title of publication: Achieving high efficiency ultrapure violet OLEDs with a CIE _<i>y</i> coordinate of below 0.015 through precise manipulation of peripheral heavy atom sulfur.
• Authors of publication: Chen, Rui; Li, Shengyu; Huang, Hao; Tong, Xingwen; Liu, Yuchao; Ren, Zhongjie; Ying, Shian; Liu, Liqun; Yan, Shouke
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 35
• Pages of publication: 16304 - 16313
• a: 12.9176 ± 0.0005 Å
• b: 18.834 ± 0.0005 Å
• c: 13.4181 ± 0.0005 Å
• α: 90°
• β: 115.122 ± 0.004°
• γ: 90°
• Cell volume: 2955.7 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.2022
• Weighted residual factors for all reflections included in the refinement: 0.2091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No