Crystallography Open Database

Information card for entry 1504861

Preview

Coordinates	1504861.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H8 F8 N2 O2 S2
Calculated formula	C22 H8 F8 N2 O2 S2
Title of publication	Benzodichalcogenophenes with perfluoroarene termini.
Authors of publication	Wang, Yongfeng; Parkin, Sean R.; Watson, Mark D.
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	20
Pages of publication	4421 - 4424
a	9.9914 ± 0.0007 Å
b	4.9183 ± 0.0004 Å
c	21.0138 ± 0.0016 Å
α	90°
β	102.932 ± 0.005°
γ	90°
Cell volume	1006.44 ± 0.13 Å³
Cell temperature	90 ± 0.2 K
Ambient diffraction temperature	90 ± 0.2 K
Number of distinct elements	6
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	0.0508
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.0969
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	1504861.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504861.cif
42420	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504853, 1504854, 1504855, 1504856, 1504857, 1504858, 1504859, 1504860, 1504861 via cif-deposit CGI script.	1504861.cif