Crystallography Open Database

Information card for entry 1503370

Preview

Coordinates	1503370.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	compd-1
Formula	C24 H22 S6 Si2
Calculated formula	C24 H22 S6 Si2
SMILES	[Si](C)(C)(C)c1cc2c3c4c(ccc5c4c4c(s5)sc5c4cc(s5)[Si](C)(C)C)sc3sc2s1
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	8.9624 ± 0.0008 Å
b	19.1122 ± 0.0018 Å
c	31.228 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5349.1 ± 0.9 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0589
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.0875
Weighted residual factors for all reflections included in the refinement	0.0972
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	Yes
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.	1503370.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503370.cif
37244	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503370 via cif-deposit CGI script.	1503370.cif