Crystallography Open Database

Information card for entry 4071545

Preview

Coordinates	4071545.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H50 O Si4
Calculated formula	C30 H50 O Si4
SMILES	[Si@]1([Si](C)(C)C)(O[Si](C)(C)C)[C@@]([Si](C)(C)C)(CC(=C(C1)c1ccccc1)c1ccccc1)C(C)(C)C.[Si@@]1([Si](C)(C)C)(O[Si](C)(C)C)[C@]([Si](C)(C)C)(CC(=C(C1)c1ccccc1)c1ccccc1)C(C)(C)C
Title of publication	Silicon−Carbon Unsaturated Compounds. 75. Thermal Isomerization of 2-Alkyl- and 2-Aryl-2-trimethylsiloxy-1,1-bis(trimethylsilyl)-1-silacyclohex-4-enes
Authors of publication	Naka, Akinobu; Ueda, Shinsuke; Ohshita, Joji; Kunai, Atsutaka; Miura, Toshiko; Kobayashi, Hisayoshi; Ishikawa, Mitsuo
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	13
Pages of publication	2922
a	18.4637 ± 0.0005 Å
b	16.9235 ± 0.0005 Å
c	18.3509 ± 0.0005 Å
α	90°
β	35.985 ± 0.0007°
γ	90°
Cell volume	3369.21 ± 0.17 Å³
Cell temperature	296.1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.088
Goodness-of-fit parameter for all reflections included in the refinement	6.475
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4071545.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071545.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071545.cif
43908	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071545 via cif-deposit CGI script.	4071545.cif