Crystallography Open Database

Information card for entry 1504859

Preview

Coordinates	1504859.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H44 F10 S2 Si2
Calculated formula	C44 H44 F10 S2 Si2
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	8.0496 ± 0.0004 Å
b	8.7262 ± 0.0005 Å
c	15.3591 ± 0.0008 Å
α	90.647 ± 0.002°
β	98.346 ± 0.002°
γ	101.226 ± 0.002°
Cell volume	1046.14 ± 0.1 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	0.0541
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1139
Weighted residual factors for all reflections included in the refinement	0.1176
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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.	1504859.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504859.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.	1504859.cif