Crystallography Open Database

Information card for entry 4003003

Preview

Coordinates	4003003.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H38 Cl0 N2 O0 S4
Calculated formula	C28 H38 N2 S4
Title of publication	Understanding of Imine Substitution in Wide-Bandgap Polymer Donor-Induced Efficiency Enhancement in All-Polymer Solar Cells
Authors of publication	Cao, Zhixiong; Chen, Jiale; Liu, Shengjian; Qin, Minchao; Jia, Tao; Zhao, Jiaji; Li, Qingduan; Ying, Lei; Cai, Yue-Peng; Lu, Xinhui; Huang, Fei; Cao, Yong
Journal of publication	Chemistry of Materials
Year of publication	2019
Journal volume	31
Journal issue	20
Pages of publication	8533
a	15.4911 ± 0.0009 Å
b	5.4136 ± 0.0003 Å
c	33.149 ± 0.003 Å
α	90°
β	97.184 ± 0.006°
γ	90°
Cell volume	2758.1 ± 0.3 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0874
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.1591
Weighted residual factors for all reflections included in the refinement	0.1771
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
220426 (current)	2019-10-29	cif/ Adding structures of 4003003 via cif-deposit CGI script.	4003003.cif