Crystallography Open Database

Information card for entry 4109711

Preview

Structure parameters

Formula	C38 H40 N2 S2
Calculated formula	C38 H40 N2 S2
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	17.9131 ± 0.001 Å
b	9.5697 ± 0.0006 Å
c	18.8066 ± 0.0011 Å
α	90°
β	95.011 ± 0.003°
γ	90°
Cell volume	3211.6 ± 0.3 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0687
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1261
Weighted residual factors for all reflections included in the refinement	0.1366
Goodness-of-fit parameter for all reflections included in the refinement	0.998
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301832 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure.	4109711.cif
178843	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.	4109711.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109711.cif
58488	2012-05-28	cif/ Adding structures of 4109711 via cif-deposit CGI script.	4109711.cif