Information card for entry 1575315

Structure parameters

• Chemical name: BO-2DBT
• 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: 12.1313 ± 0.0002 Å
• b: 13.8706 ± 0.0002 Å
• c: 18.5739 ± 0.0002 Å
• α: 88.012 ± 0.001°
• β: 77.103 ± 0.001°
• γ: 78.727 ± 0.001°
• Cell volume: 2987.65 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.2116
• Weighted residual factors for all reflections included in the refinement: 0.2232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No