Crystallography Open Database

Information card for entry 4111081

Preview

Coordinates	4111081.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	5,5-Bis-trimethylsilyl-1,3,5-dithiasiletane
Formula	C9 H24 S2 Si3
Calculated formula	C9 H24 S2 Si3
SMILES	S1C[Si]([Si](C)(C)C)([Si](C)(C)C)CSC1
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	13.8814 ± 0.0008 Å
b	9.1545 ± 0.0005 Å
c	12.5777 ± 0.0007 Å
α	90°
β	93.045 ± 0.001°
γ	90°
Cell volume	1596.08 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.026
Residual factor for significantly intense reflections	0.024
Weighted residual factors for significantly intense reflections	0.0656
Weighted residual factors for all reflections included in the refinement	0.0671
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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.	4111081.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111081.cif
60605	2012-06-15	cif/ Adding structures of 4111081 via cif-deposit CGI script.	4111081.cif