Crystallography Open Database

Information card for entry 7118270

Preview

Coordinates	7118270.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H32 O3 Si
Calculated formula	C18 H32 O3 Si
SMILES	[Si](OC1=C(C)CC[C@H]1[C@]1(CC[C@@H](O)C1=O)C)(C(C)(C)C)(C)C.[Si](OC1=C(C)CC[C@@H]1[C@@]1(CC[C@H](O)C1=O)C)(C(C)(C)C)(C)C
Title of publication	An expedient synthesis of functionalized 1,4-diketone-derived compounds via silyloxyallyl cation intermediates.
Authors of publication	Stepherson, Jacob R.; Fronczek, Frank R.; Kartika, Rendy
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	11
Pages of publication	2300 - 2303
a	29.017 ± 0.004 Å
b	11.4978 ± 0.0017 Å
c	12.6967 ± 0.0016 Å
α	90°
β	111.472 ± 0.008°
γ	90°
Cell volume	3942 ± 1 Å³
Cell temperature	90 ± 0.5 K
Ambient diffraction temperature	90 ± 0.5 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1345
Residual factor for significantly intense reflections	0.0686
Weighted residual factors for significantly intense reflections	0.1192
Weighted residual factors for all reflections included in the refinement	0.1452
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
175887 (current)	2016-02-04	cif/ Updating files of 7118270 Original log message: Adding full bibliography for 7118270.cif.	7118270.cif
173482	2016-01-05	cif/ Adding structures of 7118270 via cif-deposit CGI script.	7118270.cif