Crystallography Open Database

Information card for entry 1506769

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Structure parameters

Formula	C16 H8 Se4
Calculated formula	C16 H8 Se4
SMILES	[se]1c2ccccc2c2[Se][Se]c3c4ccccc4[se]c3c12
Title of publication	General synthesis of thiophene and selenophene-based heteroacenes.
Authors of publication	Okamoto, Toshihiro; Kudoh, Kenichi; Wakamiya, Atsushi; Yamaguchi, Shigehiro
Journal of publication	Organic letters
Year of publication	2005
Journal volume	7
Journal issue	23
Pages of publication	5301 - 5304
a	12.632 ± 0.008 Å
b	7.864 ± 0.004 Å
c	14.964 ± 0.01 Å
α	90°
β	101.258 ± 0.007°
γ	90°
Cell volume	1457.9 ± 1.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0521
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1309
Weighted residual factors for all reflections included in the refinement	0.132
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1506769.cif
176729	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.	1506769.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506769.cif
50576	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506769 via cif-deposit CGI script.	1506769.cif