Crystallography Open Database

Information card for entry 4111794

Preview

Coordinates	4111794.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H41 N O6 Si
Calculated formula	C26 H41 N O6 Si
SMILES	[Si](O[C@H]([C@@](N(C(=O)C=C)Cc1ccc(OC)cc1)(C(=O)C)C(=O)OC)C(C)C)(C)(C)C(C)(C)C
Title of publication	An Efficient, Stereocontrolled Synthesis of a Potent Omuralide-Salinosporin Hybrid for Selective Proteasome Inhibition
Authors of publication	Leleti Rajender Reddy; Jean-François Fournier; B. V. Subba Reddy; E. J. Corey
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	8974 - 8976
a	12.224 ± 0.002 Å
b	8.8408 ± 0.0015 Å
c	13.842 ± 0.002 Å
α	90°
β	111.607 ± 0.003°
γ	90°
Cell volume	1390.8 ± 0.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0805
Residual factor for significantly intense reflections	0.0759
Weighted residual factors for significantly intense reflections	0.1794
Weighted residual factors for all reflections included in the refinement	0.1824
Goodness-of-fit parameter for all reflections included in the refinement	1.169
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
178888 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/17.	4111794.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111794.cif
63399	2012-07-27	cif/ Adding structures of 4111794 via cif-deposit CGI script.	4111794.cif