Crystallography Open Database

Information card for entry 1503215

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Coordinates	1503215.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	EB038
Formula	C16 H8 N2 O S
Calculated formula	C16 H8 N2 O S
Title of publication	Synthesis of π-extended thiadiazole (oxides) and their electronic properties.
Authors of publication	Linder, Thomas; Badiola, Eider; Baumgartner, Thomas; Sutherland, Todd C.
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	20
Pages of publication	4520 - 4523
a	14.6637 ± 0.0004 Å
b	11.904 ± 0.0003 Å
c	7.2169 ± 0.0002 Å
α	90°
β	115.913 ± 0.001°
γ	90°
Cell volume	1133.1 ± 0.05 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0357
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0984
Weighted residual factors for all reflections included in the refinement	0.1004
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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.	1503215.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503215.cif
37097	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503212, 1503213, 1503214, 1503215, 1503216 via cif-deposit CGI script.	1503215.cif