Crystallography Open Database

Information card for entry 4111260

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Structure parameters

Formula	C16 H40 S Si5
Calculated formula	C16 H40 S Si5
SMILES	S=[Si]1C([Si](C)(C)C)([Si](C)(C)C)CCC1([Si](C)(C)C)[Si](C)(C)C
Title of publication	Synthesis, Properties, and Reactions of a Series of Stable Dialkyl-Substituted Silicon-Chalcogen Doubly Bonded Compounds
Authors of publication	Takeaki Iwamoto; Katsuhiro Sato; Shintaro Ishida; Chizuko Kabuto; Mitsuo Kira
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	16914 - 16920
a	10.317 ± 0.002 Å
b	14.994 ± 0.003 Å
c	15.823 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2447.7 ± 0.8 Å³
Cell temperature	150.2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for all reflections included in the refinement	0.0802
Goodness-of-fit parameter for all reflections included in the refinement	0.962
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
301833 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure.	4111260.cif
201982	2017-10-13	cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	4111260.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4111260.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111260.cif
60785	2012-06-18	cif/ Adding structures of 4111260 via cif-deposit CGI script.	4111260.cif