Information card for entry 4519046

Structure parameters

• Formula: C42 H40 B N
• Calculated formula: C42 H40 B N
• SMILES: N1(c2ccccc2C(c2ccccc12)(C)C)c1cc2c3B4c5c(C2(C)C)cccc5C(c2c4c(C(c3c1)(C)C)ccc2)(C)C
• Title of publication: Blue TADF Emitters Based on <i>B</i>-Heterotriangulene Acceptors for Highly Efficient OLEDs with Reduced Efficiency Roll-Off.
• Authors of publication: Lee, Young Hoon; Lee, Woochan; Lee, Taehwan; Lee, Donggyun; Jung, Jaehoon; Yoo, Seunghyup; Lee, Min Hyung
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 38
• Pages of publication: 45778 - 45788
• a: 11.1392 ± 0.0011 Å
• b: 16.7428 ± 0.0017 Å
• c: 17.1634 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3201 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• 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: 0.0457
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No