Crystallography Open Database

Information card for entry 4071633

Preview

Coordinates	4071633.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H37 N2 O10.5 S2
Calculated formula	C26 H37 N2 O10.5 S2
Title of publication	Stereodefined Synthesis of a New Type of 1,3-Dienes by Ligand-Controlled Carbon−Carbon and Carbon−Heteroatom Bond Formation in Nickel-Catalyzed Reaction of Diaryldichalcogenides with Alkynes
Authors of publication	Ananikov, Valentine P.; Orlov, Nikolay V.; Kabeshov, Mikhail A.; Beletskaya, Irina P.; Starikova, Zoya A.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	16
Pages of publication	4056
a	27.712 ± 0.006 Å
b	10.5495 ± 0.0018 Å
c	20.635 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	6033 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	54
Hermann-Mauguin space group symbol	P c c a
Hall space group symbol	-P 2a 2ac
Residual factor for all reflections	0.132
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.0851
Weighted residual factors for all reflections included in the refinement	0.1056
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4071633.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071633.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071633.cif
43955	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071633 via cif-deposit CGI script.	4071633.cif