Crystallography Open Database

Information card for entry 1547610

Preview

Coordinates	1547610.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H74 S2
Calculated formula	C64 H74 S2
Title of publication	Two-Dimensional Conjugated Polymer Based on sp2-Carbon Bridged Indacenodithiophene for Efficient Polymer Solar Cells
Authors of publication	Guo, Yijing; Li, Miao; Zhou, Yuanyuan; Song, Jinsheng; Bo, Zhishan; Wang, Hua
Journal of publication	Macromolecules
Year of publication	2017
Journal volume	50
Journal issue	20
Pages of publication	7984
a	10.64 ± 0.003 Å
b	15.198 ± 0.004 Å
c	18.576 ± 0.006 Å
α	106.712 ± 0.005°
β	93.358 ± 0.005°
γ	107.192 ± 0.005°
Cell volume	2714.4 ± 1.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1687
Residual factor for significantly intense reflections	0.1133
Weighted residual factors for significantly intense reflections	0.3058
Weighted residual factors for all reflections included in the refinement	0.361
Goodness-of-fit parameter for all reflections included in the refinement	1.166
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
203997 (current)	2017-12-05	cif/ Updating files of 1547609, 1547610 Original log message: Adding full bibliography for 1547609--1547610.cif.	1547610.cif
201833	2017-10-07	cif/ Adding structures of 1547610 via cif-deposit CGI script.	1547610.cif