Crystallography Open Database

Information card for entry 4510881

Preview

Coordinates	4510881.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C203 H195 Cl6
Calculated formula	C200 H196
Title of publication	Morphology Change and Improved Efficiency in Organic Photovoltaics via Hexa-peri-hexabenzocoronene Templates.
Authors of publication	Dam, Henk H.; Sun, Kuan; Hanssen, Eric; White, Jonathan M.; Marszalek, Tomasz; Pisula, Wojciech; Czolk, Jens; Ludwig, Jens; Colsmann, Alexander; Pfaff, Marina; Gerthsen, Dagmar; Wong, Wallace W. H.; Jones, David J.
Journal of publication	ACS applied materials & interfaces
Year of publication	2014
Journal volume	6
Journal issue	11
Pages of publication	8824 - 8835
a	17.2331 ± 0.0008 Å
b	17.2446 ± 0.0007 Å
c	27.9818 ± 0.0014 Å
α	92.121 ± 0.004°
β	91.996 ± 0.004°
γ	112.639 ± 0.004°
Cell volume	7658.7 ± 0.6 Å³
Cell temperature	130 ± 0.1 K
Ambient diffraction temperature	130 ± 0.1 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	0.1983
Residual factor for significantly intense reflections	0.128
Weighted residual factors for significantly intense reflections	0.337
Weighted residual factors for all reflections included in the refinement	0.3971
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179655 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/08.	4510881.cif
119016	2014-07-05	cif/ Updating files of 4510881 Original log message: Adding full bibliography for 4510881.cif.	4510881.cif
114076	2014-05-22	cif/ Adding structures of 4510881 via cif-deposit CGI script.	4510881.cif