Crystallography Open Database

Information card for entry 1505244

Preview

Coordinates	1505244.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 O4 S2 Si2
Calculated formula	C26 H22 O4 S2 Si2
SMILES	S1(=O)(=O)c2cc3c(S(=O)(=O)C4=C3[Si](c3c4cccc3)(C)C)cc2C2=C1c1c([Si]2(C)C)cccc1
Title of publication	Ladder distyrylbenzenes with silicon and chalcogen bridges: synthesis, structures, and properties.
Authors of publication	Mouri, Kazuhiro; Wakamiya, Atsushi; Yamada, Hiroshi; Kajiwara, Takashi; Yamaguchi, Shigehiro
Journal of publication	Organic letters
Year of publication	2007
Journal volume	9
Journal issue	1
Pages of publication	93 - 96
a	9.057 ± 0.003 Å
b	13.776 ± 0.004 Å
c	10.813 ± 0.004 Å
α	90 ± 0.0009°
β	113.927 ± 0.0011°
γ	90 ± 0.0009°
Cell volume	1233.2 ± 0.7 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0675
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1139
Weighted residual factors for all reflections included in the refinement	0.1239
Goodness-of-fit parameter for all reflections included in the refinement	1.115
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
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.	1505244.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505244.cif
45450	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505244 via cif-deposit CGI script.	1505244.cif