Crystallography Open Database

Information card for entry 4111080

Preview

Coordinates	4111080.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	3,3,7,7-Tetramethyl-1,5-dithia-3,7-disilocane
Formula	C8 H20 S2 Si2
Calculated formula	C8 H20 S2 Si2
SMILES	S1C[Si](CSC[Si](C1)(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	6.6704 ± 0.0005 Å
b	9.8045 ± 0.0007 Å
c	10.894 ± 0.0007 Å
α	98.97 ± 0.001°
β	95.843 ± 0.001°
γ	106.35 ± 0.001°
Cell volume	667.27 ± 0.08 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	0.0329
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0798
Weighted residual factors for all reflections included in the refinement	0.0821
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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.	4111080.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111080.cif
60604	2012-06-15	cif/ Adding structures of 4111080 via cif-deposit CGI script.	4111080.cif