Crystallography Open Database

Information card for entry 4122849

Preview

Coordinates	4122849.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H24
Calculated formula	C48 H24
SMILES	c12c3c4c5c6c(c7c(c8c6c3c(c3ccccc83)c3c1cccc3)cccc7)c1ccccc1c5c1ccccc1c4c1ccccc21
Title of publication	Tuning Polymorphism and Orientation in Organic Semiconductor Thin Films via Post-deposition Processing.
Authors of publication	Hiszpanski, Anna M.; Baur, Robin M.; Kim, Bumjung; Tremblay, Noah J.; Nuckolls, Colin; Woll, Arthur R.; Loo, Yueh-Lin
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	44
Pages of publication	15749 - 15756
a	12.2985 ± 0.0019 Å
b	7.9282 ± 0.0012 Å
c	13.998 ± 0.002 Å
α	90°
β	90.123 ± 0.002°
γ	90°
Cell volume	1364.9 ± 0.4 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	2
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	0.1164
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.1202
Weighted residual factors for all reflections included in the refinement	0.1426
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
179030 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/28.	4122849.cif
127053	2014-11-12	cif/ Updating files of 4122848, 4122849 Original log message: Adding full bibliography for 4122848--4122849.cif.	4122849.cif
125851	2014-10-25	cif/ Adding structures of 4122849 via cif-deposit CGI script.	4122849.cif