Crystallography Open Database

Information card for entry 1567669

Preview

Coordinates	1567669.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H44 F4 N8 O3 S5
Calculated formula	C74 H40 F4 N8 O3 S5
Title of publication	Asymmetric side-chain substitution enables a 3D network acceptor with hydrogen bond assisted crystal packing and enhanced electronic coupling for efficient organic solar cells
Authors of publication	Luo, Zhenghui; Gao, Yuan; Lai, Hanjian; Li, Yuxiang; Wu, Ziang; Chen, Zhanxiang; Sun, Rui; Ren, Jiaqi; Zhang, Cai’e; He, Feng; Woo, HanYoung; Min, Jie; Yang, Chuluo
Journal of publication	Energy & Environmental Science
Year of publication	2022
Journal volume	15
Journal issue	11
Pages of publication	4601 - 4611
a	23.7933 ± 0.0013 Å
b	57.27 ± 0.003 Å
c	13.4957 ± 0.0007 Å
α	90°
β	109.688 ± 0.002°
γ	90°
Cell volume	17314.8 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 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	0.1304
Residual factor for significantly intense reflections	0.1201
Weighted residual factors for significantly intense reflections	0.3265
Weighted residual factors for all reflections included in the refinement	0.3405
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
280173 (current)	2023-01-06	cif/ Updating files of 1567669, 1567670 Original log message: Adding full bibliography for 1567669--1567670.cif.	1567669.cif
278054	2022-09-22	cif/ Adding structures of 1567669, 1567670 via cif-deposit CGI script.	1567669.cif