Crystallography Open Database

Information card for entry 1543364

Preview

Coordinates	1543364.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H48 O3 Si2
Calculated formula	C28 H48 O3 Si2
SMILES	[Si]1(O[Si](CC2(C(=O)[C@H]([C@H]2O[C@@H](c2c(cc(C(C)C)cc2C(C)C)C(C)C)C)C)C1)(C)C)(C)C.[Si]1(O[Si](CC2(C(=O)[C@@H]([C@@H]2O[C@H](c2c(cc(C(C)C)cc2C(C)C)C(C)C)C)C)C1)(C)C)(C)C
Title of publication	Thermal [2 + 2]-Cycloaddition of Ketenes with Chiral Enol Ethers: Route to Densely Substituted Cyclobutanones.
Authors of publication	Rullière, Pauline; Grisel, Julien; Poittevin, Clément; Cividino, Pascale; Carret, Sébastien; Poisson, Jean-François
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	12
Pages of publication	2824 - 2827
a	48.523 ± 0.01 Å
b	6.2947 ± 0.0013 Å
c	20.561 ± 0.004 Å
α	90°
β	107.18 ± 0.03°
γ	90°
Cell volume	6000 ± 2 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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	0.0742
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.1004
Weighted residual factors for all reflections included in the refinement	0.1173
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation probe	x-ray
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
184968 (current)	2016-08-05	cif/ Updating files of 1543364 Original log message: Adding full bibliography for 1543364.cif.	1543364.cif
183112	2016-05-28	cif/ Adding structures of 1543364 via cif-deposit CGI script.	1543364.cif