Crystallography Open Database

Information card for entry 4111082

Preview

Coordinates	4111082.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	3,3,4,4,8,8,9,9-Octamethyl-1,6-dithia-3,4,8,9-tetrasilacyclodecane
Formula	C12 H32 S2 Si4
Calculated formula	C12 H32 S2 Si4
SMILES	C1SC[Si](C)(C)[Si](CSC[Si]([Si]1(C)C)(C)C)(C)C
Title of publication	Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications
Authors of publication	Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	14949 - 14961
a	6.2586 ± 0.0004 Å
b	7.9795 ± 0.0005 Å
c	11.3208 ± 0.0007 Å
α	104.223 ± 0.001°
β	93.624 ± 0.001°
γ	107.762 ± 0.001°
Cell volume	516.03 ± 0.06 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0235
Residual factor for significantly intense reflections	0.022
Weighted residual factors for significantly intense reflections	0.0622
Weighted residual factors for all reflections included in the refinement	0.0633
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
178881 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/10.	4111082.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111082.cif
60606	2012-06-15	cif/ Adding structures of 4111082 via cif-deposit CGI script.	4111082.cif