Crystallography Open Database

Information card for entry 1572536

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Coordinates	1572536.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H42 N2
Calculated formula	C53 H42 N2
Title of publication	Spirobifluorene-based hole-transporting materials for RGB OLEDs with high efficiency and low efficiency roll-off
Authors of publication	Li, Qian; Guo, Yusong; Lan, Jingbo; Yang, Yudong; Wu, Di; Bin, Zhengyang
Journal of publication	Chemical Science
Year of publication	2024
a	19.1121 ± 0.0013 Å
b	13.8417 ± 0.0009 Å
c	30.0202 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	7941.7 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0877
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1284
Weighted residual factors for all reflections included in the refinement	0.1548
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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