Information card for entry 4519044

Structure parameters

• Formula: C35.5 H31 B Cl N O
• Calculated formula: C35.5 H31 B Cl N O
• SMILES: O1c2c(B(c3c(cc(N4c5ccccc5C(c5ccccc45)(C)C)cc3C)C)c3ccccc13)cccc2.C(Cl)Cl
• 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: 7.6792 ± 0.0015 Å
• b: 22.111 ± 0.004 Å
• c: 17.75 ± 0.004 Å
• α: 90°
• β: 90.29 ± 0.03°
• γ: 90°
• Cell volume: 3013.8 ± 1.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1759
• Weighted residual factors for all reflections included in the refinement: 0.1842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No