Crystallography Open Database

Information card for entry 1569910

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Coordinates	1569910.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H27 N3
Calculated formula	C39 H27 N3
Title of publication	Solution-processable organic semiconductors with over 220 °C glass transition temperature: manipulating morphology using a helical polycyclic heteroaromatic motif
Authors of publication	Fang, Lingyi; Zhang, Yuyan; Cai, Yaohang; Zhang, Jing; Wei, Yuefang; Yuan, Yi; Wang, Peng
Journal of publication	Energy & Environmental Science
Year of publication	2023
Journal volume	16
Journal issue	11
Pages of publication	5231 - 5242
a	18.0704 ± 0.0006 Å
b	18.0704 ± 0.0006 Å
c	16.2498 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	4595.3 ± 0.3 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	3
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0575
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1229
Weighted residual factors for all reflections included in the refinement	0.1302
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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