Crystallography Open Database

Information card for entry 1569911

Preview

Coordinates	1569911.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H57 N3
Calculated formula	C54 H57 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	13.117 ± 0.0003 Å
b	53.4561 ± 0.0012 Å
c	12.9832 ± 0.0003 Å
α	90°
β	113.512 ± 0.001°
γ	90°
Cell volume	8347.8 ± 0.3 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1043
Residual factor for significantly intense reflections	0.0815
Weighted residual factors for significantly intense reflections	0.2194
Weighted residual factors for all reflections included in the refinement	0.2416
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
288812 (current)	2024-01-06	cif/ Updating files of 1569909, 1569910, 1569911 Original log message: Adding full bibliography for 1569909--1569911.cif.	1569911.cif
286424	2023-09-20	cif/ Adding structures of 1569909, 1569910, 1569911 via cif-deposit CGI script.	1569911.cif