Crystallography Open Database

Information card for entry 4109707

Preview

Coordinates	4109707.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H52 N2
Calculated formula	C46 H52 N2
Title of publication	Synthesis, Characterization, and Application of Indolo[3,2-b]carbazole Semiconductors
Authors of publication	Pierre-Luc T. Boudreault; Salem Wakim; Nicolas Blouin; Michel Simard; Christian Tessier; Ye Tao; Mario Leclerc
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	9125 - 9136
a	5.553 ± 0.003 Å
b	17.278 ± 0.01 Å
c	19.305 ± 0.012 Å
α	81.686 ± 0.007°
β	82.767 ± 0.007°
γ	80.819 ± 0.007°
Cell volume	1799.2 ± 1.8 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 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	0.2202
Residual factor for significantly intense reflections	0.087
Weighted residual factors for significantly intense reflections	0.1876
Weighted residual factors for all reflections included in the refinement	0.2235
Goodness-of-fit parameter for all reflections included in the refinement	0.872
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
178843 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/97.	4109707.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109707.cif
58484	2012-05-28	cif/ Adding structures of 4109707 via cif-deposit CGI script.	4109707.cif