Information card for entry 4519045

Structure parameters

• Formula: C39 H34 B N O
• Calculated formula: C39 H34 B N O
• SMILES: O1c2c3B4c5c(cc(N6c7ccccc7C(c7ccccc67)(C)C)cc5C(c5c4c1ccc5)(C)C)C(c3ccc2)(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: 14.5452 ± 0.0002 Å
• b: 14.5452 ± 0.0002 Å
• c: 29.1039 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6157.3 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No