Crystallography Open Database

Information card for entry 4519046

4519045 << 4519046 >> 4519047

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Coordinates	4519046.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H40 B N
Calculated formula	C42 H40 B N
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 Å³
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 F_obs	No

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