Crystallography Open Database

Information card for entry 1567670

Preview

Coordinates	1567670.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H44 F0.5 N16 O4.5 S5
Calculated formula	C60.5 H10 F4 N8 O2 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	13.457 ± 0.002 Å
b	23.14 ± 0.004 Å
c	30.127 ± 0.005 Å
α	70.475 ± 0.007°
β	86.756 ± 0.007°
γ	80.476 ± 0.007°
Cell volume	8720 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 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	0.2085
Residual factor for significantly intense reflections	0.1764
Weighted residual factors for significantly intense reflections	0.4153
Weighted residual factors for all reflections included in the refinement	0.448
Goodness-of-fit parameter for all reflections included in the refinement	0.899
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.	1567670.cif
278054	2022-09-22	cif/ Adding structures of 1567669, 1567670 via cif-deposit CGI script.	1567670.cif