Crystallography Open Database

Information card for entry 1543265

Preview

Coordinates	1543265.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	compound 2
Formula	C102.5 H38 O4 S7
Calculated formula	C102.5 H38 O4 S7
Title of publication	Development of isomer-free fullerene bisadducts for efficient polymer solar cells
Authors of publication	Xiao, Zuo; Geng, Xinjian; He, Dan; Jia, Xue; Ding, Liming
Journal of publication	Energy Environ. Sci.
Year of publication	2016
Journal volume	9
Journal issue	6
Pages of publication	2114
a	12.422 ± 0.004 Å
b	16.732 ± 0.006 Å
c	18.496 ± 0.006 Å
α	106.88 ± 0.005°
β	94.237 ± 0.003°
γ	108.521 ± 0.003°
Cell volume	3429 ± 2 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1248
Residual factor for significantly intense reflections	0.1046
Weighted residual factors for significantly intense reflections	0.279
Weighted residual factors for all reflections included in the refinement	0.2971
Goodness-of-fit parameter for all reflections included in the refinement	1.14
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
185550 (current)	2016-08-07	cif/ Updating files of 1543265, 1543266, 1543267 Original log message: Adding full bibliography for 1543265--1543267.cif.	1543265.cif
182808	2016-05-06	cif/ Adding structures of 1543265, 1543266, 1543267 via cif-deposit CGI script.	1543265.cif