Crystallography Open Database

Information card for entry 1503371

Preview

Coordinates	1503371.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	compd-1-p
Formula	C24 H22 S6 Si2
Calculated formula	C24 H22 S6 Si2
SMILES	c12c(ccc3c1c1c(s3)sc3c1cc(s3)[Si](C)(C)C)sc1c2c2c(s1)sc(c2)[Si](C)(C)C
Title of publication	Syntheses and crystal structures of benzohexathia[7]helicene and naphthalene cored double helicene.
Authors of publication	Wang, Zhihua; Shi, Jianwu; Wang, Jiange; Li, Chunli; Tian, Xinyong; Cheng, Yanxiang; Wang, Hua
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	3
Pages of publication	456 - 459
a	8.5149 ± 0.0014 Å
b	10.6494 ± 0.0017 Å
c	16.51 ± 0.003 Å
α	74.37 ± 0.002°
β	89.326 ± 0.002°
γ	69.807 ± 0.002°
Cell volume	1347.6 ± 0.4 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 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	0.0634
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1073
Weighted residual factors for all reflections included in the refinement	0.1197
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1503371.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503371.cif
37245	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503371 via cif-deposit CGI script.	1503371.cif