Crystallography Open Database

Information card for entry 4028047

Preview

Coordinates	4028047.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H24 N2 S4
Calculated formula	C22 H24 N2 S4
Title of publication	Coplanar Bithiazole-Centered Heterocyclic Aromatic Fluorescent Compounds Having Different Donor/Acceptor Terminal Groups
Authors of publication	Tao Tao; Yu-Xin Peng; Wei Huang; Xiao-Zeng You
Journal of publication	Journal of Organic Chemistry
Year of publication	2013
Journal volume	78
Pages of publication	2472 - 2481
a	5.175 ± 0.013 Å
b	25.53 ± 0.06 Å
c	9.45 ± 0.02 Å
α	90°
β	117.87 ± 0.04°
γ	90°
Cell volume	1104 ± 4 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	4
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	0.1891
Residual factor for significantly intense reflections	0.0918
Weighted residual factors for significantly intense reflections	0.2119
Weighted residual factors for all reflections included in the refinement	0.2475
Goodness-of-fit parameter for all reflections included in the refinement	0.952
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4028047.html