Crystallography Open Database

Information card for entry 1571934

1571933 << 1571934 >> 1571935

Preview

Coordinates	1571934.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	CH-HP
Formula	C96 H102 F4 N12 O2 S6
Calculated formula	C96 H102 F4 N12 O2 S6
Title of publication	The anti-correlation effect of alkyl chain size on the photovoltaic performance of centrally extended non-fullerene acceptors.
Authors of publication	Duan, Tainan; Wang, Jia; Zuo, Xiaochan; Bi, Xingqi; Zhong, Cheng; Li, Yulu; Long, Yuhong; Tu, Kaihuai; Zhang, Weichao; Yang, Ke; Zhou, Huiqiong; Wan, Xiangjian; Zhao, Yan; Kan, Bin; Chen, Yongsheng
Journal of publication	Materials horizons
Year of publication	2024
Journal volume	11
Journal issue	18
Pages of publication	4413 - 4423
a	20.6737 ± 0.0013 Å
b	21.441 ± 0.0015 Å
c	25.983 ± 0.0019 Å
α	90°
β	107.449 ± 0.004°
γ	90°
Cell volume	10987.4 ± 1.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2641
Residual factor for significantly intense reflections	0.1561
Weighted residual factors for significantly intense reflections	0.3549
Weighted residual factors for all reflections included in the refinement	0.4147
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
295352 (current)	2024-10-06	cif/ Updating files of 1571933, 1571934 Original log message: Adding full bibliography for 1571933--1571934.cif.	1571934.cif
292439	2024-06-18	cif/ Adding structures of 1571933, 1571934 via cif-deposit CGI script.	1571934.cif