Crystallography Open Database

Information card for entry 4088487

Preview

Coordinates	4088487.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H56 O4 Si2
Calculated formula	C28 H56 O4 Si2
SMILES	[Si]1(OC2(O[Si](OC3(O1)CCC(CC3)C(C)(C)C)(CC)CC)CCC(CC2)C(C)(C)C)(CC)CC
Title of publication	Reduction of Organosilicon Peroxides: Ring Contraction and Cyclodimerization
Authors of publication	Arzumanyan, Ashot V.; Terent’ev, Alexander O.; Novikov, Roman A.; Lakhtin, Valentin G.; Grigoriev, Michail S.; Nikishin, Gennady I.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	11
Pages of publication	1667
a	11.9229 ± 0.0003 Å
b	14.9018 ± 0.0004 Å
c	17.4042 ± 0.0005 Å
α	90°
β	100.108 ± 0.002°
γ	90°
Cell volume	3044.25 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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 all reflections	0.0825
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.0985
Weighted residual factors for all reflections included in the refinement	0.1131
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237613 (current)	2019-11-24	cif/ Adding structures of 4088487 via cif-deposit CGI script.	4088487.cif