Crystallography Open Database

Information card for entry 1505241

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Structure parameters

Formula	C26 H22 S2 Si2
Calculated formula	C26 H22 S2 Si2
SMILES	s1c2cc3c(sc4c3[Si](c3c4cccc3)(C)C)cc2c2[Si](c3c(c12)cccc3)(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	11.383 ± 0.003 Å
b	6.8442 ± 0.0018 Å
c	15.037 ± 0.004 Å
α	90°
β	93.264 ± 0.004°
γ	90°
Cell volume	1169.6 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0366
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0827
Weighted residual factors for all reflections included in the refinement	0.0849
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1505241.cif
176729	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.	1505241.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505241.cif
45447	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505241 via cif-deposit CGI script.	1505241.cif