Crystallography Open Database

Information card for entry 1566884

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Coordinates	1566884.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H34 O3
Calculated formula	C39 H34 O3
Title of publication	Regulating the Excited State Chirality to Fabricate High-Performance-Solid-State Circularly Polarized Luminescence Materials
Authors of publication	Han, Jianlei; Shi, Yonghong; Jin, Xue; Yang, Xuefeng; Duan, Pengfei
Journal of publication	Chemical Science
Year of publication	2022
a	10.9647 ± 0.0001 Å
b	18.7819 ± 0.0001 Å
c	14.2842 ± 0.0001 Å
α	90°
β	98.404 ± 0.001°
γ	90°
Cell volume	2910.07 ± 0.04 Å³
Cell temperature	169.99 ± 0.12 K
Ambient diffraction temperature	169.99 ± 0.12 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0392
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.1019
Weighted residual factors for all reflections included in the refinement	0.1033
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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