Crystallography Open Database

Information card for entry 1575636

Preview

Coordinates	1575636.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	QX
Formula	C86 H92 F4 N8 O2 S4
Calculated formula	C86 H92 F4 N8 O2 S4
Title of publication	Dispersion effect of chlorination-induced intermolecular stacking optimization of small-molecule acceptors for high-performance organic solar cells
Authors of publication	Hu, Kewei; Ge, Yu; Yang, Hang; Xu, Yue; Qian, Jiahao; Zhu, Xuncheng; Wu, Yue; Cui, Chaohua; Li, Yongfang
Journal of publication	Energy & Environmental Science
Year of publication	2025
Journal volume	18
Journal issue	20
Pages of publication	9194 - 9204
a	25.308 ± 0.015 Å
b	22.928 ± 0.014 Å
c	33.61 ± 0.02 Å
α	90°
β	108.86 ± 0.017°
γ	90°
Cell volume	18456 ± 19 Å³
Cell temperature	223 K
Ambient diffraction temperature	223 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2259
Residual factor for significantly intense reflections	0.1428
Weighted residual factors for significantly intense reflections	0.3081
Weighted residual factors for all reflections included in the refinement	0.3475
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
303831 (current)	2025-11-29	cif/ Updating files of 1575635, 1575636, 1575637 Original log message: Adding full bibliography for 1575635--1575637.cif.	1575636.cif
302046	2025-09-07	cif/ Adding structures of 1575635, 1575636, 1575637 via cif-deposit CGI script.	1575636.cif