Crystallography Open Database

Information card for entry 1505243

Preview

Coordinates	1505243.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)c2ccccc2C2=C1c1cc3[Si](C4=C(S(=O)(=O)c5ccccc45)c3cc1[Si]2(C)C)(C)C
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	13.042 ± 0.004 Å
b	6.878 ± 0.002 Å
c	14.555 ± 0.005 Å
α	90 ± 0.0011°
β	106.698 ± 0.0014°
γ	90 ± 0.0011°
Cell volume	1250.6 ± 0.7 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
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	0.07
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1107
Weighted residual factors for all reflections included in the refinement	0.1198
Goodness-of-fit parameter for all reflections included in the refinement	1.128
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.	1505243.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505243.cif
45449	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505243 via cif-deposit CGI script.	1505243.cif