Crystallography Open Database

Information card for entry 2230782

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Structure parameters

Chemical name	Bis(furan-2-ylcarbonyl) diselenide
Formula	C10 H6 O4 Se2
Calculated formula	C10 H6 O4 Se2
SMILES	[Se](C(=O)c1ccco1)[Se]C(=O)c1ccco1
Title of publication	Bis(furan-2-ylcarbonyl) diselenide
Authors of publication	Cordes, David B.; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	7
Pages of publication	o1586
a	9.615 ± 0.008 Å
b	14.132 ± 0.014 Å
c	3.991 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	542.3 ± 0.9 Å³
Cell temperature	125 K
Ambient diffraction temperature	125 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for all reflections included in the refinement	0.1312
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301806 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure.	2230782.cif
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2230782.cif
120072	2014-07-11	Adding DOIs to range 2 structures.	2230782.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2230782.cif
23100	2011-08-04	../uploads/cif-deposit/cod/cif Adding structures of 2230782 via cif-deposit CGI script.	2230782.cif