Crystallography Open Database

Information card for entry 4114507

Preview

Coordinates	4114507.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H40
Calculated formula	C55.832 H40
Title of publication	Synthesis, Structure, and Photophysical and Electrochemical Properties of a π-Stacked Polymer
Authors of publication	Tamaki Nakano; Tohru Yade
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	15474 - 15484
a	16.3629 ± 0.0009 Å
b	15.273 ± 0.001 Å
c	15.5365 ± 0.0007 Å
α	90°
β	103.475 ± 0.004°
γ	90°
Cell volume	3775.9 ± 0.4 Å³
Cell temperature	296.2 K
Ambient diffraction temperature	296.2 K
Number of distinct elements	2
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0597
Residual factor for significantly intense reflections	0.042
Weighted residual factors for all reflections	0.0777
Goodness-of-fit parameter for all reflections	1.401
Goodness-of-fit parameter for all reflections included in the refinement	1.401
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4114507.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114507.cif
67835	2012-10-05	cif/ Adding structures of 4114507 via cif-deposit CGI script.	4114507.cif