Crystallography Open Database

Information card for entry 4028558

Preview

Coordinates	4028558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H18 N2 S2
Calculated formula	C25 H18 N2 S2
Title of publication	Asymmetrical/Symmetrical D-π-A/D-π-D Thiazole-Containing Aromatic Heterocyclic Fluorescent Compounds Having the Same Triphenylamino Chromophores
Authors of publication	Tao Tao; Bin-Bin Ma; Yu-Xin Peng; Xiao-Xu Wang; Wei Huang; Xiao-Zeng You
Journal of publication	Journal of Organic Chemistry
Year of publication	2013
Journal volume	78
Pages of publication	8669 - 8679
a	10.3933 ± 0.001 Å
b	12.6851 ± 0.0012 Å
c	16.6669 ± 0.0016 Å
α	97.372 ± 0.002°
β	105.335 ± 0.001°
γ	98.675 ± 0.002°
Cell volume	2062 ± 0.3 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0887
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1338
Weighted residual factors for all reflections included in the refinement	0.152
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
178464 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/85.	4028558.cif
94756	2014-01-27	cif/ Adding structures of 4028558 via cif-deposit CGI script.	4028558.cif