Crystallography Open Database

Information card for entry 1574296

Preview

Coordinates	1574296.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C127 H156 Br F4 N9 O2 S4
Calculated formula	C127 H156 Br F4 N9 O2 S4
Title of publication	Fine-tuning central extended unit symmetry via atom-level asymmetric molecular design enables efficient binary organic solar cells
Authors of publication	Liu, Jian; Wang, Ruohan; Li, Longyu; Zhao, Wenkai; Suo, Zhaochen; Shi, Wendi; Long, Guankui; Yao, Zhaoyang; Wan, Xiangjian; Chen, Yongsheng
Journal of publication	Energy & Environmental Science
Year of publication	2025
Journal volume	18
Journal issue	9
Pages of publication	4470 - 4479
a	17.43 ± 0.005 Å
b	18.929 ± 0.005 Å
c	19.665 ± 0.005 Å
α	104.767 ± 0.008°
β	108.463 ± 0.009°
γ	91.368 ± 0.008°
Cell volume	5912 ± 3 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2932
Residual factor for significantly intense reflections	0.1554
Weighted residual factors for significantly intense reflections	0.3485
Weighted residual factors for all reflections included in the refinement	0.4025
Goodness-of-fit parameter for all reflections included in the refinement	1.175
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
300998 (current)	2025-07-06	cif/ Updating files of 1574295, 1574296 Original log message: Adding full bibliography for 1574295--1574296.cif.	1574296.cif
298697	2025-04-03	cif/ Adding structures of 1574295, 1574296 via cif-deposit CGI script.	1574296.cif