Crystallography Open Database

Information card for entry 1515958

Preview

Coordinates	1515958.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H16 N2 S2
Calculated formula	C23 H16 N2 S2
SMILES	s1cccc1/C=N/c1ccc2c3c(Cc2c1)cc(/N=C/c1sccc1)cc3
Title of publication	Conjugated fluorene-thiophenes prepared from azomethine connections. Part I. The effect of electronic and aryl groups on the spectroscopic and electrochemical properties.
Authors of publication	Dufresne, Stéphane; Pérez Guarìn, Sergio Andrés; Bolduc, Andréanne; Bourque, Alex N.; Skene, W. G.
Journal of publication	Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
Year of publication	2009
Journal volume	8
Journal issue	6
Pages of publication	796 - 804
a	6.0019 ± 0.0016 Å
b	9.123 ± 0.003 Å
c	34.23 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	1874.3 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.039
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0767
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	0.928
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515958.cif
112681	2014-05-03	cif/ Adding structures of 1515958 via cif-deposit CGI script.	1515958.cif