Crystallography Open Database

Information card for entry 4107878

Preview

Coordinates	4107878.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H49 Cl O3 Si
Calculated formula	C29 H49 Cl O3 Si
SMILES	c1ccccc1COC[C@@H]([C@@H]1C[C@@H](C2(CCCCC2)[C@H]1O[Si](C(C)C)(C(C)C)C(C)C)OC)Cl.c1ccccc1COC[C@H]([C@H]1C[C@H](C2(CCCCC2)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)OC)Cl
Title of publication	Control of up to Five Stereocenters in a Cascade Reaction: Synthesis of Highly Functionalized Five-Membered Rings
Authors of publication	Hao Li; Teck-Peng Loh
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	7194 - 7195
a	10.5848 ± 0.0004 Å
b	10.8318 ± 0.0004 Å
c	14.6865 ± 0.0005 Å
α	105.455 ± 0.002°
β	109.497 ± 0.002°
γ	98.896 ± 0.002°
Cell volume	1473.89 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0677
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1498
Weighted residual factors for all reflections included in the refinement	0.1794
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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
178824 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/78.	4107878.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107878.cif
56203	2012-05-09	cif/ Adding structures of 4107878 via cif-deposit CGI script.	4107878.cif