Crystallography Open Database

Information card for entry 1572794

Preview

Coordinates	1572794.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87 H97 Cl7 N6 O2 S4
Calculated formula	C87 H97 Cl7 N6 O2 S4
Title of publication	C-shaped ortho-benzodipyrrole-based acceptors with different electronic effects of top substituents for as-cast green-solvent processed high-performance organic solar cells
Authors of publication	Gong, Yufei; Zou, Tianwei; Li, Xiaojun; Qin, Shucheng; Sun, Guangpei; Liang, TongLing; Zhou, Ruimin; Zhang, Jianqi; Zhang, Jinyuan; Meng, Lei; Wei, Zhixiang; Li, Yongfang
Journal of publication	Energy & Environmental Science
Year of publication	2024
Journal volume	17
Journal issue	18
Pages of publication	6844 - 6855
a	24.5282 ± 0.0011 Å
b	23.803 ± 0.0018 Å
c	34.0641 ± 0.0012 Å
α	90°
β	107.624 ± 0.004°
γ	90°
Cell volume	18954.7 ± 1.8 Å³
Cell temperature	170 ± 0.1 K
Ambient diffraction temperature	170 ± 0.1 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	0.2182
Residual factor for significantly intense reflections	0.1353
Weighted residual factors for significantly intense reflections	0.2738
Weighted residual factors for all reflections included in the refinement	0.3096
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
295059 (current)	2024-10-04	cif/ Adding structures of 1572792, 1572793, 1572794 via cif-deposit CGI script.	1572794.cif