Crystallography Open Database

Information card for entry 1504855

Preview

Coordinates	1504855.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H52 F10 O2 S2
Calculated formula	C46 H52 F10 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	4.6213 ± 0.0008 Å
b	15.382 ± 0.003 Å
c	15.43 ± 0.003 Å
α	82.659 ± 0.011°
β	85.21 ± 0.008°
γ	88.615 ± 0.01°
Cell volume	1083.9 ± 0.4 Å³
Cell temperature	90 ± 0.2 K
Ambient diffraction temperature	90 ± 0.2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1563
Residual factor for significantly intense reflections	0.1063
Weighted residual factors for significantly intense reflections	0.3197
Weighted residual factors for all reflections included in the refinement	0.3598
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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.	1504855.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504855.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.	1504855.cif