Crystallography Open Database

Information card for entry 4114346

Preview

Coordinates	4114346.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H52 Si4
Calculated formula	C48 H52 Si4
SMILES	c12ccccc1C1=C(c3c(cc4C5=C(c6c(cccc6)[Si]5(C)C)[Si](c4c3)(C)C)[Si]1(C)C)[Si]2(C)C.c1ccccc1.c1ccccc1.c1ccccc1
Title of publication	Bis-Silicon-Bridged Stilbene Homologues Synthesized by New Intramolecular Reductive Double Cyclization
Authors of publication	Shigehiro Yamaguchi; Caihong Xu; Kohei Tamao
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	13662 - 13663
a	8.1904 ± 0.0003 Å
b	28.139 ± 0.001 Å
c	9.196 ± 0.0004 Å
α	90°
β	92.723 ± 0.003°
γ	90°
Cell volume	2117.01 ± 0.14 Å³
Cell temperature	173.2 K
Ambient diffraction temperature	173.2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0481
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.0701
Weighted residual factors for all reflections included in the refinement	0.0701
Goodness-of-fit parameter for all reflections included in the refinement	1.223
Diffraction radiation wavelength	0.7107 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.	4114346.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114346.cif
67643	2012-10-01	cif/ Adding structures of 4114346 via cif-deposit CGI script.	4114346.cif