Crystallography Open Database

Information card for entry 4107630

Preview

Coordinates	4107630.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	DBSB
Chemical name	1,4-bis(1,1-dimethyl-2-phenylbenzosilol-3-yl)benzene
Formula	C38 H34 Si2
Calculated formula	C38 H34 Si2
SMILES	C1(=C(c2ccc(C3=C(c4ccccc4)[Si](c4c3cccc4)(C)C)cc2)c2ccccc2[Si]1(C)C)c1ccccc1
Title of publication	Modular Synthesis of Functionalized Benzosiloles by Tin-Mediated Cyclization of (o-Alkynylphenyl)silane
Authors of publication	Laurean Ilies; Hayato Tsuji; Yoshiharu Sato; Eiichi Nakamura
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	4240 - 4241
a	21.61 ± 0.011 Å
b	8.084 ± 0.004 Å
c	17.322 ± 0.009 Å
α	90°
β	93.796 ± 0.008°
γ	90°
Cell volume	3019 ± 3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	3
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	0.0414
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.1442
Weighted residual factors for all reflections included in the refinement	0.146
Goodness-of-fit parameter for all reflections included in the refinement	1.3
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
178822 (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 4/10/76.	4107630.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107630.cif
55332	2012-05-04	cif/ Adding structures of 4107630 via cif-deposit CGI script.	4107630.cif