Crystallography Open Database

Information card for entry 1571804

Preview

Coordinates	1571804.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H80 F4 N4 O6 S6
Calculated formula	C86 H80 F4 N4 O6 S6
Title of publication	Enhanced crystal network and charge transfer of non-fused ring electron acceptors via interchain interaction for efficient and stable organic solar cells
Authors of publication	Ye, Shounuan; Chen, Tianyi; Yu, Jinyang; Wang, Shanlu; Li, Shuixing; Wang, Jingxi; Fu, Yuang; Zhu, Yuxuan; Wang, Mengting; Lu, Xinhui; Ma, Zaifei; Li, Chang-Zhi; Shi, Minmin; Chen, Hongzheng
Journal of publication	Energy & Environmental Science
Year of publication	2024
Journal volume	17
Journal issue	14
Pages of publication	5137 - 5146
a	15.606 ± 0.003 Å
b	16.678 ± 0.003 Å
c	18.394 ± 0.003 Å
α	63.176 ± 0.011°
β	69.39 ± 0.014°
γ	69.98 ± 0.015°
Cell volume	3901.2 ± 1.3 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2701
Residual factor for significantly intense reflections	0.18
Weighted residual factors for significantly intense reflections	0.413
Weighted residual factors for all reflections included in the refinement	0.4989
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
293876 (current)	2024-08-05	cif/ Updating files of 1571803, 1571804, 1571805 Original log message: Adding full bibliography for 1571803--1571805.cif.	1571804.cif
292266	2024-06-08	cif/ Adding structures of 1571803, 1571804, 1571805 via cif-deposit CGI script.	1571804.cif