Crystallography Open Database

Information card for entry 1543267

Preview

Coordinates	1543267.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	e-PPMF
Formula	C77 H16 O2.6
Calculated formula	C77 H16 O2.618
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	23.316 ± 0.007 Å
b	10.157 ± 0.003 Å
c	17.402 ± 0.005 Å
α	90°
β	98.718 ± 0.005°
γ	90°
Cell volume	4074 ± 2 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	3
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	0.1307
Residual factor for significantly intense reflections	0.1015
Weighted residual factors for significantly intense reflections	0.2375
Weighted residual factors for all reflections included in the refinement	0.2523
Goodness-of-fit parameter for all reflections included in the refinement	1.438
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.	1543267.cif
182808	2016-05-06	cif/ Adding structures of 1543265, 1543266, 1543267 via cif-deposit CGI script.	1543267.cif