Crystallography Open Database

Information card for entry 4109197

Preview

Coordinates	4109197.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H25 I Si2
Calculated formula	C21 H25 I Si2
SMILES	IC1=C(C(=C([Si]1(C)C)[Si](C)(C)C)c1ccccc1)c1ccccc1
Title of publication	Lithio Siloles: Facile Synthesis and Applications
Authors of publication	Chao Wang; Qian Luo; Hui Sun; Xiangyu Guo; Zhenfeng Xi
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	3094 - 3095
a	27.932 ± 0.006 Å
b	11.207 ± 0.002 Å
c	15.052 ± 0.003 Å
α	90°
β	111.8 ± 0.03°
γ	90°
Cell volume	4374.8 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.053
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.0968
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
178837 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/91.	4109197.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109197.cif
57952	2012-05-23	cif/ Adding structures of 4109197 via cif-deposit CGI script.	4109197.cif